Poster: High-level, one-sided programming models on MPI: a case study with global arrays and NWChem

  • Authors:
  • James Dinan;Pavan Balaji;Jeff R. Hammond;Sriram Krishnamoorthy;Vinod Tipparaju

  • Affiliations:
  • Argonne National Laboratory, Argonne, IL, USA;Argonne National Laboratory, Argonne, IL, USA;Argonne National Laboratory, Argonne, IL, USA;Pacific Northwest National Laboratory, Richland, WA, USA;Advanced Micro Devices, Austin, TX, USA

  • Venue:
  • Proceedings of the 2011 companion on High Performance Computing Networking, Storage and Analysis Companion
  • Year:
  • 2011

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Abstract

Global Arrays (GA) is popular high-level parallel programming model that provides data and computation management facilities to the NWChem computational chemistry suite. GA's global-view data model is supported by the ARMCI partitioned global address space runtime system, which traditionally is implemented natively on each supported platform in order to provide the best performance. The industry standard Message Passing Interface (MPI) also provides one-sided functionality and is available on virtually every supercomputing system. We present the first high performance, portable implementation of ARMCI using MPI one-sided communication. We interface the existing GA infrastructure with ARMCI-MPI and demonstrate that this approach reduces the amount of resources consumed by the runtime system, provides comparable performance, and enhances portability for applications like NWChem.