Performance Analysis of GA-based Applications using Vampir - Summary

• Daresbury and PALLAS collaboration

• Tool for Performance Analysis - VAMPIR & VAMPIR Trace

  • Extended to handle GA Applications

• Applied in a number of DFT Calculations on Zeolite Fragments on a variety of high-end and commodity-based platforms

• Instrumentation of both NWChem and GAMESS-UK:

  • Distributed data (NWchem)
  • Replicated Data (GAMESS-UK)
  • Analysis of GAs and PeIGs

• Findings

  • non-intrusive
  • Tracing of substantial runs possible
    • Size of trace files in distributed data applications
  • Use in quantifying scaling problems
    • e.g. GA_MULT2 in GAMESS-UK

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