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Reflections From Previous Training Events

1. Julia

  • deeper HPC related issues with Julia
  • developing programs locally that targets HPC i.e. use of Docker and/or AppTainer
  • Writing Julia for Python programmers
  • ML using Julia (SciML)
    • how about split ML part in Julia workshops into a separate ML-using-Julia lesson
    • Francesco?
  • Julia for data scientist and review of some packages for CAE and other demanding projects (ray tracing, CFD machine learning )


2. Python

Expansion of High Performance Data Analytics in Python into to three workshop: https://hackmd.io/@yonglei/python-workshops

    1. Python HPDA
    • If we split them, we could also cover more things about big data storage and retrieval (S3, databases, tips on parallel file systems) (Francesco)
    • data management
    • data storage
    • database
    1. Python HPC
    • it would be beneficial to have comparison of all parallelization methods and best use cases as a summary
    • like an overview of common data formats
    • Someone in the feedback mentioned having a KB of tips and tricks, sounds interesting! (Francesco)
    • ashwin!
    1. Python ML/DL
    • Practical machine learning
    • Practical deep learning
    1. a blogpost about data format/management in all eurohpc systems


3. AI/ML/DL

lesson material practical deep learning from csc

  • theory on ML and DL at a deeper level
  • https://github.com/csc-training/intro-to-dl
  • more ML algorithms/applications
    • workshops at intermediate level
  • model optimization on AMD GPUs
  • how to make use of GPU resources
  • measure the performance of network
    • performance issues
  • it will be interesting to have a workshop to learn to use alpha fold
  • advance DL on specific models and application on prace machines for instance
    • rotations about CASTIEL2 course
  • wrap models in web server (Flask, FastAPI, etc) ONNX Runtime Sagemaker/Google Cloud ML/Azure ML
  • explainability on different models, further hands-on with new model architectures, best practices about project structuring
  • ML/AI (tensorflow/PyTorch)
  • DL transformers
  • AI for chemistry
    • maybe we can arrange more events from AI Factories perspective like AI4Science
  • Comparing different Deep-Learning techniques on the same dataset, training in parrallel and on a single CPU
    • start from webinars focusing on regression problems, classification problems, etc.


4. Best practice HPC training

  • more on pedagogy, exercise design, backwards lesson design, hybrid training
  • how to tackle very technical teaching that might be boring for some students
  • pedagogy tips and lesson development sessions
  • training ecosystems
  • part of evita


5. CPU/GPU programming

  • OpenACC-CUDA
    • arrange one workshop at H2
  • MPI
    • piggy-back with our collaborators
  • OpenMP offloading
  • OpenMP with HIP
  • Hybrid programming
  • CUDA-Aware MPI
  • Modern C++ for scientific computing
  • Profiling and code optimization
  • Solving specific physical problems
    • we may consider to write blogposts to solve specific problems using varied programming models
    • like DFT, MD, CFD computations
  • Profiling for bottlenecks
  • Programming FPGA
  • Programming using other accelerators
  • SYCL concurrent programming all system resources (CPU+GPUs from multiple vendors+accelerators
  • RUST programming
  • GPU toolchains and libraries


6. Quantum computing

  • QC testing
  • quantum machine learning
  • quantum annealing, QC/HPC integration
  • QC vs. other reversible computing paradigms, reversibility in HPC
  • applied quantum programming for climate and machine learning
  • integration of QC in HPC
  • Quantum Error Correction
  • Quantum-safe encryption


7. HPC applications

  • quantum chemistry
    • vasp
    • emto
    • quantum espresso
    • sista
    • yambo
    • bigDFT
  • HPC optimization for molecular dynamics
  • QM/MM/MD methods
  • more examples for CFD calculations
    • openFOAM


8. Programming tools

  • a workshop on containers like docker and singularity
  • using dockers for training
    • can we have webinars for this topic?
  • software control using Git