Reflections from Previous Training Events

Reflections From Previous Training Events :::info **Contents of this documents and quicklinks**： [TOC] ::: ## 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](https://enccs.github.io/hpda-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 - 2. 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](https://enccs.github.io/hpda-python/scientific-data/#an-overview-of-common-data-formats) - Someone in the feedback mentioned having a KB of tips and tricks, sounds interesting! (Francesco) - ashwin! - 3. Python ML/DL - Practical machine learning - Practical deep learning - 4. 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 - https://liu.se/en/news-item/liu-forskare-far-alphafold-att-forutse-valdigt-stora-proteiner - another framework `jax` - 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 - Example for using ONNX with KB-whisper: https://whisper.mesu.re/ | https://github.com/PierreMesure/whisper-web - 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 :::danger :::