Workshop on High Performance Computing at KTH

![workshop plattform](https://hackmd.io/_uploads/S1RYgYDWA.jpg) <font size=5 color=blueyellow>**Workshop on High Performance Computing at KTH**</font> :::success **Apr. 25, 09:00 -- 17:00 (CEST), 2024** ::: [TOC] ## [Workshop page](https://www.kth.se/en/forskning/forskningsplattformar/digitalisering/kalender/workshop-on-high-performance-computing-at-kth-1.1313518) ## 09.00 – 09.10 Welcome and Introduction - Tobias Oechtering, KTH Digitalization Platform - Rossen, PDC Manager ## 09.10 – 10.15, Jordi Muela, BSC > One of the main developers of SOD2D, a highly efficient GPU-accelerated code for cutting-edge fluid-flow simulations scaling on several thousands of GPUs. short intro to BSC exascale computing cpu vs gpu gpu programming - low level - cuda, opencl, sycl, nvptx - pragma-based high level models - openacc - openmp - graphics engines - unreal, directX, Vulkan, OpenGL - langauage standard parallelization - C/C++ and Fortran - ... ### SOD2D Code -- exascale in CFD - new Continuous Galekin high-order spectral element method (CG-SEM) - SOD2D = Spectral high-Order coDe 2 solve partial Diffential equations - gitlab, bsc_sod2d - Fortran, openACC, require HDF5 + MPI **scability** - carried out in MareNostrum 5 ACC **communication pattern** - mpi communication pattern - point-to-point - collective - one sided - cuda-aware mpi + GPUDirect - communication GPU --> GPU - before: GPU --> CPU --> CPU --> GPU **unified memory** - sod2d vs nekRS vs nek5000 **several application cases** ## 10.15 – 10.30 Break ## 10.30 – 12.00 Success Stories ### 1. Quantum Chemistry: Patrick Norman, Director PDC Centre for High Performance Computing - intro to veloxchem ### 2. Fluid Dynamics: Outi Tammisola - complex fluid and multiphase flow - FluTAS = fluid transport accelerated solver - FluTAS vs OpenFOAM - lots of codes (in publications) - github/gitlab? - use pdc and maluxina/vega for computing ### 3. Heterogeneous Systems: Ivy Peng - a heterogeneous way: from GPU to RISC-V - **sleipner research cluster** - leverage specialized hardware for HPC - increased heterogeneity in memory tech - Jupiter HPC cluster will be based on Sipearl Rhea Processor + HBM-DRAM heterogeneous memory - HBM3-DRAM memory - RISC-V based HPC - OpenCUBE project - codesign plasma-pepsc code with EPI (European Processor Initiative) - https://www.european-processor-initiative.eu/ ### 4. Biomolecular simulations: Alessandra Villa - gromacs package - zenodo.10683366 how to run gromacs efficiently on LUMI ### 5. Visualisation: Tino Weinkauf, InfraVis - https://infravis.se --- ## 12.00 – 13.00 Lunch --- ## 13.00 – 14.00 Andrey Alekseenko, Modern hardware and software stacks - https://chipsandcheese.com/ ## 14.00 – 14.30 Gert Svensson, Swedish HPC Infrastructure - naiss doing and not-doing - management of sensitive data? ## 14.30 – 14.45 Malin Sandström, EuroHPC: the pan-European HPC Infrastructure - brief into to EuroHPC JU - CoEs, EPICURE, HPC SPECTRA, NCCs, - type of calls - 6-pillar program - ENCCS is highlighted to be the contact organization for using EuroHPC resources --- ## 14.45 – 15.00 Break --- ## 15.00 – 16.00 HPC Communities ### 1. SeRC Swedish e-Science Research Centre, Olivia Eriksson - three pillars - application area - e-infrastructure - method development - common e-science expert (RSEs) - 8 research communities - sese (swedish e-science education) - another one is essence (sesc vs essence) ### 2. EU Centres of Excellence - Rossen Apostolov (Director BioExcel CoE) - PMX - ~~Niclas Jansson (Director CEEC CoE)~~ - Jeremy Johnathan Williams (Project Manager Plasma-PEPSC CoE) - fusion energy, plasma accelerators, space physics - four codes - Vlasiator (UoH) - GENE(MPG) - PIConGPU (HZDR) - BIT (IPP, UL) - EPI processor - EPI accelerator - Quantum Computing ### 3. Peter Larsson, High-level specialised application support service in HPC - EPICURE (funding from EuroHPC JU?) - each granted project will be paired with a support team (not a generic helpdesk) - LUMI info - workshops/hackathons/webinars about EPICURE - ==GPU hackathon next year about EPICURE== ## 16.00 – 17.00 Final session with networking --- :::danger :::