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.

*Support provided through the SciDAC program funded by U.S. Department of Energy, Office of Science, ASCR and BES under Contract No. DE-AC02-05CH11231 at LBNL and Award No. DESC0008877 at UT, Austin

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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