WP1 – Scientific challenges
Wind:
- Coupling Alya with mesoscale tendencies from WRF
- Two community benchmarks, Hornamossen and Alaiz
- Analisis of extreme weather incidents in Iberdrola wind farms
- Adapt shell elements in Alya to turbine blades
- Fluid Structure simulation of a wind turbine blade
Meteorology:
- Construct probability distribution functions from large ensemble; improving the predictability of cloud and wind
- Development of statistical non-parametric calibration: Asynchronous I/O and compressibility; integration of MELISSA-DA
- Final calibration for ESIAS-met
- Two-step optimization of solar prediction system to calibrate COT input
- Ensemble scoring via cloud-motion and flow structure identification
Materials:
- Interfacing between Wannier90 and the libNEGF code
- Improvement of the scalability of libNEGF towards exascale
- Benchmarking with QMC Reference Calculations
- O(N) kinetic Monte Carlo code KMC-FMM to model hopping type electron conduction in α-NPD, modeling system of over 500k molecules
Water:
- Parflow model performance evaluation for multi-scale processes : lateral groundwater flow, streamflow and water level fluctuations
- Application of HYPERstreamHS, a hydrological model refactored including dual-layer parallelization to improve model computational efficiency
- A mixture of experts surrogate model used to carry out a global sensitivity analysis to classify sources of uncertainty to explain water level variance. The ParFlow-Telemac chained hydrology-hydraulic model was implemented.
- Improved Geothermal Modeling
Fusion:
- Implementation and benchmark of ITER-relevant non-circular magnetic geometries. Benchmark of the electromagnetic model (tearing instability in collisionless regime)
- Study of the plasma-wall interaction physics with kinetic electrons and ions with VOICE, a reduced version of GYSELAX
- Comparative study of the efficiencies of 2-dimensional Poisson solvers
WP2 – Programming models:
- Network of experts: EoCoE, POP, tool providers, PRACE trainers
- Performance evaluation workshops
- Optimization of Alya on CPU and GPU porting using CUDA and OpenACC. Performance comparison with satelite codes WaLBerla, SOWFA and MesoNH.
- Meteo: correction of algorithmic errors in the advection scheme. Optimization of hotspots in the EURAD-IM code. MPI scalability improvement in EURAD-IM
- Performance analysis and bottlenecks identification on the libNEGF code through the JUBE automatic worflow. Optimization of the inelastic self-energies computation based on the work done in PVnegf. Kernel algorithms of libNEGF ported to NVIDIA GPUs (CUDA)
- Adaptive Mesh Refinement implemented in ParFlow using P4est. GPU porting of ParFlow using CUDA and Kokkos. PDI integrated in SHEMAT-Suite.
- Study and programming model exploration to rewrite Gysela using C++. Optimization and adaptation for ARM-based processors (A64FX) in collaboration with ATOS, ARM, Fujitsu & RCCS. Development of the modern C++ Gysela. 2D prototype in modern C++ to prepare GYSELAX rewriting. Strong reduction (~70%) of the computing time with GYSELAX has enabled highly resolved physical studies, leading to publications in high impact factor journals
WP3 – Scalable solvers:
- Integration of PSBLAS/AMG4PSBLAS Krylov solvers and preconditioners to improve ParFlow solver capability
- Extensions of PSBLAS and AMG4PSBLAS to run on hybrid architectures at scale
- Interfacing AGMG to SHEMAT-Suite for improving linear solver capability
- Extension of AGMG to exploit Nvidia GPUs
- Development of multigrid solvers for the gyrokinetic Poisson equation in GyselaX
- Integration of different sparse linear solvers to improve Alya solver capability, to face hybrid (MPI-CUDA) programming models
Integrated solvers are: MUMPS, PaStiX, MaPhyS, AGMG, PSBLAS/AMG4PSBLAS
WP4 – IO & Data Flow:
- PDI improvements: API standardization and unification process, adaption of HDF5 support to new API routines and addition of more HDF5 features, for Gysela and SHEMAT
- Rework of FTI plugin
- New PDI plugin to wrap the NetCDF4 library
- New “User-code” and “pycall” plugin to support individual function calls and in-situ approaches (FlowVR)
- Melissa PDI plugin development
WP5 – Ensemble runs:
- Code release of Melissa for Data Assimilation
- Support of PDAF parallel data assimilation engine into Melissa, and a specific optimized strategy for Particle Filters
- Support of Parflow and WRF for the Weather and Hydro SCs.
- Large scale runs (20K cores) for data assimilation with Parflow and WRF.
- Melissa tested and validated on X86 and Arm-based Fugaku supercomputers.
- Identification of use cases with code and datasets for the Weather and Hydrology applications
- ESIAS/EURAD-IM: WRF integration into Melissa-DA
WP6 – Dissemination & Networking:
- Exploitation strategy
- Training & capacity building
- EoCoE website
- EoCoE Software as a Service portal
- joint Position paper with EERA, launch of a transversal Joint Programme
