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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Abstract 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.
AbstractList 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.
Author Shan, Hongzhang
McElvain, Kenneth
Johnson, Calvin
Williams, Samuel
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  givenname: Hongzhang
  surname: Shan
  fullname: Shan, Hongzhang
  email: hshan@lbl.gov
  organization: Comput. Res. Div., Lawrence Berkeley Nat. Lab., Berkeley, CA, USA
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  givenname: Samuel
  surname: Williams
  fullname: Williams, Samuel
  email: swwilliams@lbl.gov
  organization: Comput. Res. Div., Lawrence Berkeley Nat. Lab., Berkeley, CA, USA
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  givenname: Calvin
  surname: Johnson
  fullname: Johnson, Calvin
  email: cjohnson@mail.sdsu.edu
  organization: Dept. of Phys., San Diego State Univ., San Diego, CA, USA
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  givenname: Kenneth
  surname: McElvain
  fullname: McElvain, Kenneth
  email: kenmcelvain@me.com
  organization: Dept. of Phys., Univ. of California, Berkeley, Berkeley, CA, USA
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Snippet The Configuration Interaction (CI) method has been widely used to solve the non-relativistic many-body Schrodinger equation. One great challenge to...
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StartPage 1178
SubjectTerms 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
Title A Locality-Based Threading Algorithm for the Configuration-Interaction Method
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