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# System prepended metadata

title: Workshop on High Performance Computing at KTH
tags: [Ext_Meeting, '2024']

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![workshop plattform](https://hackmd.io/_uploads/S1RYgYDWA.jpg)


<font size=5 color=blueyellow>**Workshop on High Performance Computing at KTH**</font>


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**Apr. 25, 09:00 -- 17:00 (CEST), 2024**
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[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

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## 12.00 – 13.00 Lunch

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## 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

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## 14.45 – 15.00 Break

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## 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

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