Outline

• Background - Distributed computing at DL

• Commodity-based and High-end Systems

  • Single-node performance & the Interconnect bottleneck
  • Prototype Commodity Systems; CS1 - CS20
  • High-end Systems: IBM SP/p690+, SGI Altix 3700, plus HP/Compaq Alpha Server SC and SGI Origin 3800
  • Performance Metrics

• Application performance

  • Distributed vs. Replicated Data
  • Molecular Simulation (DLPOLY, DLMULTI and CHARMM)
  • Electronic Structure - Global Arrays (GAs) and Linear Algebra (PeIGS)
    • NWChem and GAMESS-UK
  • Materials Simulation (CPMD) and Computational Engineering (ANGUS, SBLI)

• Summary

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