Hybrid programming with MPI & OpenMP - Prace Training Portal

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Outline• Motivation• Application test case: QuantumESPRESSO• Mixed paradigm and FFT• ScalaPACK and Multithread library• Typical loops• Perspective and Conclusion2
Motivation:Paradigm Change in HPC30000002500000Aggregate Number of Core for Top500 Supercomputersf coresnumber of200000015000001000000New Moore Low:500000Number of cores doubles0every 2 yearsgiu-93giu-94giu-95giu-96giu-97giu-98giu-99giu-00giu-01giu-02giu-03giu-04giu-05giu-06giu-07giu-08yearsCPU freq. does not grow any moreWhat about (tightly coupled)<strong>MPI</strong> applications?3
Page 1: workshop on application porting and
Page 5 and 6: Standard de-factoMPI (inter node)Op
Page 7 and 8: Mixed Paradigm• PROS:- Better use
Page 10 and 11: Ab-initio simulations:The “standa
Page 12: Parallelization (before OpenMP)1x1x
Page 15 and 16: HECToR - PSIWAT (DEISA benchmark)Pe
Page 17 and 18: Parallelization Strategy• 3D FFT
Page 19 and 20: Changing architecture: HPCxHPCx - W
Page 21 and 22: Multithread libraries (mkl, acml, e
Page 23 and 24: Understanding QE 3DFFT, Paralleliza
Page 25 and 26: Understanding QE 3DFFT: master-only
Page 27 and 28: QE 3DFFT: multiple • Pros:- Overl
Page 29 and 30: Space Integrals: Electrostatic pote
Page 31 and 32: Point Function evaluation:Exchange
Page 33 and 34: pDO nt = 1, ntypIF ( upf(nt)%tvanp
Page 35 and 36: PDSYEVX vs ad-hoc subroutineTurboRV
Page 37 and 38: Conclusion• Number of cores doubl

Hybrid programming with MPI & OpenMP - Prace Training Portal

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