Outline

• Cost-effective high-end, departmental and desktop computation

  • Cluster Computing - where do clusters fit?

• Commodity-based Systems

  • Single-node performance & the Interconnect bottleneck
  • Prototype Systems; CS1 - CS6

• High-end Systems

  • Cray T3E/1200E, IBM SP/WH2-375, SGI Origin 3800, Compaq Alpha Server SC and Cray SuperCluster

• Application performance on High-end and Commodity Clusters

  • Electronic Structure and Molecular Simulation
    • Distributed data: Global Arrays (GAs) ; Linear Algebra (PeIGS)
    • GAMESS-UK, DL_POLY and CHARMM
  • Materials and Computational Engineering
    • CRYSTAL, CPMD & CASTEP and engineering (ANGUS & FLITE3D)

• Application performance analysis

  • VAMPIR and instrumenting the GA Tools

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