Hybrid programming with MPI & OpenMP - Prace Training Portal

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MPI inter process communicationsMPI on Multi core CPUnode node 1 MPI proces / coreStress networkStress OSMPI_BCASTMany MPI codes (QE) based onALLTOALLMessages = processes * processesnodenodeWe need to exploit the hierarchynetworkRe-designapplicationsMix message passingAnd multi-threading 4
Standard de-factoMPI (inter node)OpenMP (intra node)• Distributed memory systems • Shared memory systems• message passing• Threads creations• data distribution ib i model• relaxed-consistency model• Version 2.1 (09/08)• Version 3.0 (05/08)• API for C/C++ and Fortran • Compiler directive C and Fortran5
Page 1 and 2: workshop on application porting and
Page 3: Motivation:Paradigm Change in HPC30
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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