EoCoE Use Case for EsD

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Energy oriented Centre of Excellencefor computer applications Paul Gibbon

18/05/2016 EoCoE Evaluation 1

EoCoE overview

Transversalbasis

Researchers

Industry,SMEsthroughEuropean

infrastructures:EIT,Eureka,etc.

HPCtechnologiesNetworkingCo-design

PRACE

HPCInfrastructureandtraining

ServicesDissemina onEduca on

Hos ngand

leadingmul disciplinary

teams

EnergyorientedCentreofExcellence

AdvancedMathsLinearAlgebraNumericalmethodsHPCtools

NewHPCmodulesCodeenhancementSo warepla ormThema cLibrariesOp misa ontools

EnergySc.Communi es

HPCexpertCommunity

ETP4HPC

Thema cPillars

Other CoE (E-CAM, POP, ESIWACE,…) 2

8 countries, 22 partners, 5.5 M€, lead by Maison de la Simulation, CEA

Objectives

Improve means of production, storage and distribution of clean electricity

Fusion for energy : Coupling kinetic and fluid codes, mesh aligned

with equilibrium configurations.

Separator

Electrolyte

Active matter Current Collector

! + ! -

Meteorology for energy : Very short term forecast to predict the

production of solar and wind farm – Efficient coupling to the grid,

energy trading.

Water for energy : Geothermal and hydro-power – management

of resources, strategy of usage - influence of climate change.

Material for energy : Photovoltaic cells, battery and

super-capacitors

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Transversal Basis

EoCoE co-design (algorithms/software/hardware) objectives:

“Develop and optimise high end tools and software for renewable

energy communities. Prepare applications for exascale computers”

1. Tools and services for HPC (FZJ)

2. Advanced programming methods and tools (FZJ)

3. System tools for high performance (CEA)

4. Linear algebra (INRIA)

5. Numerical methods – applied mathematics (INRIA)

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Integrated code optimization process

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Benchmarking workshops (with POP CoE): JUBE + Perf. tools Code teams: app. developers + HPC mentor Continual workflow: Automated perf. metrics -> code diary Re-engineering: Tasks passed to math./alg./accelerator experts

EsD application candidates

Gysela Fusion G. Latu, CEA Cadarache Parflow Water S. Kollet, FZ Jülich Alya Meteo H. Owen, BSC Metalwalls/BigDFT Materials MdlS Saclay/CNRS

Diverse generic algorithm set (Vlasov, CFD, ab initio, elliptic/ hyperbolic PDEs) with special demands (coupled modules, potentially heavy I/O) and immediate impact within fledgling ‘computational energy science’ community

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GYSELA

Gyrokinetic model of core plasma turbulence up to ITER scale Govn. equations: 5D nonlinear Vlasov equation + 3D Poisson Current performance: member, Hi-Q club – scaling to full

JUQUEEN, 0.5M cores Implementation: F90, MPI+OpenMP Optimisation: SMT benefits on Jureca platform (ongoing, EoCoE

project)

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ALYA

Computational mechanics code. In EoCoE used for CFD for Wind Energy - started 4 years ago with project for Iberdrola

Challenge: huge domains with complex terrain. Currently using RANS to reduce computational cost but would like to go towards LES for increased accuracy

Alya is one of the 2 codes in the PRACE benchmark suite for CFD.

Current performance: 130k cores SuperMuc and 100k cores Blue Waters.

Libraries: Metis, HDF5, VTK. Future: Maphys and AGMG Accelerator capability: In-house library of GPU based solvers

(GMRES,DEFLATED_CG,CG) called NINJA has been recently introduced. Initial steps to porting the matrix assembly for the Navier-Stokes problem 8

ParFlow

Integrated parallel watershed model: fully coupled dynamic 2D/3D hydrological, groundwater and land surface processes

C (117k lines), F90 (11k lines), MPI2 (towards OpenMP/MPI) Govn. equation: Richards eq. (GW), kinematic wave eq. (OF) Libraries: Silo (I/O), Hypre, KINSol (SUNDIALS) – parallel, multi-

grid-preconditioned, finite diff./vol. 3D flow; Octree spacepartitioning; implicit Newton-Krylov solver for non-linear PDEs

Current performance: 32k cores BG/Q, good scaling on Xeon In EoCoE: H2020/POP expert profiling, JUBE2, pI/O (NetCDF4),

AMR w/ p4est, in-situ processing (VisIt), alt. solver: PETSc(?) Accelerator capability: TBD – testing ongoing, e.g., on DEEP In EoCoE: Modernisation “BigData & exascale readiness” +

impact modelling w/ hydropower (climate change), EU + Alps Part of TerrSysMP fully coupled (OASIS3-MCT), incl. PDAF

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Thank you!

Any questions?

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