Hybrid MPI/OpenMP First Principles Materials Science Codes for Intel Xeon Phi (MIC) based HPC: The Petascale and Beyond

ORAL

Abstract

Exploiting the full potential of present petascale and future exascale supercomputers based on many core chips requires a high level of threading on the node as well as reduced communications between the nodes to scale to large node counts. We will present results for a variety of first principles materials science codes (Berkeley-GW, PARATEC, PARSEC) on Intel Xeon Phi (MIC) based supercomputers for algorithms using hybrid OpenMP/MPI parallelism to obtain both efficiently threaded single chip performance and parallel scaling to large node counts.

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Authors

  • Andrew Canning

    Lawrence Berkeley National Laboratory and University of California, Davis, Lawrence Berkeley National Lab

  • Jack Deslippe

    Lawrence Berkeley Natl Lab, Lawrence Berkeley National Laboratory, National Energy Research Scientific Computing Center

  • James R. Chelikowsky

    University of Texas at Austin, University of Austin at Texas, Univ of Texas, Austin, The University of Texas at Austin

  • Steven G. Louie

    University of California at Berkeley, Lawrence Berkeley National Lab, University of California - Berkeley and Lawrence Berkeley National Lab, Department of Physics, University of California at Berkeley; Materials Sciences Divisions, Lawrence Berkeley National Laboratory, Univ of California - Berkeley and Lawrence Berkeley National Lab, Department of Physics, UC Berkeley and Lawrence Berkeley National Lab, University of California, Berkeley and Lawrence Berkeley National Laboratory, University of California at Berkeley and Lawrence Berkeley National Laboratory, UC Berkeley and Lawrence Berkeley National Lab, University of California at Berkeley and Lawrence Berkeley National Lab, Physics Department, UC Berkeley and Lawrence Berkeley National Lab, Department of Physics, University of California, Berkeley, and Materials Science Division, Lawrence Berkeley National Lab, Berkeley, CA 94720, USA, UC Berkeley physics/ LBNL MSD