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HPC for QMC

Efficiency of a HPC from QMC's perspective

Goal: reduce the time to reach the target error bar for a given system using readily available resources
time-to-solution = wall-clock time for a QMC user&developer

“Goodness” of a HPC system
  • More resources for a job: leadership facilities with large-job focus, e.g., OLCF, ALCF
  • Powerful SMP with high peak FLOPs and preferably with large shared memory: GPUs, P7, new generation of x86
  • Smart compilers and high-performance middleware, e.g., MPI, vectorized math libraries
  • Infrastructure: short time to build and validate codes