Hybrid programming with MPI & OpenMP - Prace Training Portal

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MPI & OpenMP works!BCX – W256 (CINECA benchmark)Speed‐up, relative to 64 cores Pure MPI543210Pure MPIMPI+OpenMP, 4 threadsMPI+OpenMP, 2 threads128 256 512 1024coresMPI+4OMP Threads saturate at 512 coresMPI+2OMP Threads saturate at 256 coresPure MPI saturate at 128 coresWe observe the same behaviourBut at an higher number of cores18
Changing architecture: HPCxHPCx – W256 (CINECA benchmark)Speed‐up, relative to 64 cores Pure MPI7PURE MPI65MPI+OpenMP, 4 threadsMPI+OpenMP, 2 threads4 MPI+OpenMP, 8 threads3210 64 128 256 512 1024coresOn HPCx we can use 8 threads,QE scale up to 1024 cores19
Page 1 and 2: workshop on application porting and
Page 3 and 4: Motivation:Paradigm Change in HPC30
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: Parallelization Strategy• 3D FFT
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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