MSRC Application: md/remd

• Native MPI

  • 8 processes, 20160 atoms/process = 161280 atoms
  • SGI: 9 min, T3E: 8 min

• Legion MPI (1-2 min startup, plus)

  • SGI: 10 min (NAVO), 14 min (NAVO, ARL)
  • Sun: (10 min NAVO)
  • T3E: (25 min NAVO)

• Goal: 1,000,000 atoms

• Approach: Mixed MPI

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