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VeloxChem: Quantum Chemistry Towards Pre-exascale and Beyond – ENCCS/PDC

Online

Quantum molecular modeling of complex molecular systems is an indispensable and integrated component in advanced material design, as such simulations provide a microscopic insight into the underlying physical processes. ENCCS and PDC will offer training on using the VeloxChem program package. We will highlight its efficient use on modern HPC architectures, such as the Dardel system at PDC and the pre-exascale supercomputer LUMI, 50% of which is available to academic users of the consortium states, including Sweden and Denmark.

Free

Advanced Deep Learning with Transformers – ENCCS/RISE

Online

In recent years, Graph Neural Networks (GNNs) and Transformers have led to numerous breakthrough achievements in a variety of fields such as Natural Language Processing (NLP), chemistry, and physics. By doing away with the need for fixed-size inputs, these architectures significantly extend the scope of problems in which deep learning can be applied.

Free

SYCL Workshop

Online

SYCL is a C++ abstraction layer for programming heterogeneous hardware with a single-source approach. SYCL is high-level, cross-platform, and extends standard ISO C++17. You will learn to:

Free

Upscaling A.I. Workflows

Online

In this workshop, we overview the basics of Docker and Singularity. (Working knowledge of Singularity as given in the workshop (https://www.uppmax.uu.se/support/courses-and-workshops/singularity-workshop-announcement) is desirable.) Distributed training using TensorFlow and Horovod frameworks on a supercomputer will be covered. Moreover, it will be shown how to use Singularity containers in conjunction with TensorFlow and Horovod to upscale an AI app.

High Performance Data Analytics in Python

Online

This online workshop is meant to give an overview of working with research data in Python using general libraries for storing, processing, analysing and sharing data. The focus is on improving performance. After covering tools for performant processing (netcdf, numpy, pandas, scipy) on single workstations the focus shifts to parallel, distributed and GPU computing (snakemake, numba, dask, multiprocessing, mpi4py).

Introduction to Quantum Computing & Hybrid HPC-QC Systems

Online

ENCCS is now joining forces with NordiQuEst to deliver a two-day training workshop covering the fundamentals of quantum computing (QC), including introduction to key concepts: quantum states, qubits, quantum algorithms, QC programming in high-level languages for use cases in optimisation, finance and quantum chemistry followed by testing quantum programs to esure their correctness, overview of the main QC hardware approaches
Integration of QC with classical computing: hybrid classical/quantum algorithms and HPC-QC systems.

The 10th OpenMolcas Developers’ Workshop [Hybrid]

Uppsala university Ångström laboratory, room 80127 (house 8, floor 0), Upssala, Sweden

We are pleased to announce the 10th edition of the OpenMolcas developers' workshop, bringing together the community of developers, users, and anyone else interested in the project. This year the workshop is hosted by the Quantum Chemistry Group at Uppsala University and we are very excited to announce that ENCCS teams up with TREX for the organization, but most importantly will contribute to the scientific part as well!

Intermediate Topics in MPI

Online

This workshop targets programmers in both academia and industry who already have experience with basic MPI and are ready to take the next step to more advanced usage. Topics which will be covered include communicators, groups, derived data types, one-sided communication, non-blocking collectives and hybrid MPI+threading approaches. Lectures will be interleaved with hands-on exercises. All […]

Free

CMake Workshop

Online

CMake is a language-agnostic, cross-platform build tool and is nowadays the de facto standard, with large projects using it to reliably build, test, and deploy their codebases.

Free

HPC for research and development – EuroCC Latvia/ENCCS

Overview We invite you to take part in a scientific workshop “HPC for research and development” taking place from October 4 to October 6 at “Avalon hotel Riga” (Address: 13th January street 19, Riga, Latvia). Each day will be dedicated to a specific topic – achievements and prospects, best practices in Europe on training and […]

ENCCS Industry Days 2022

Stockholm

ENCCS is organizing the Swedish HPC Industry Day 2022, 10-11 October. This event will provide a comprehensive introduction to HPC targeted toward a broad audience, for example:

Free

Workshop on Hyperparameter Optimization and Distributed Training

Online

AIDA invites our technical community to an AIDA-day on Zoom where we will deep dive into hot topics in AI training. Our keynote speaker, Veronika Cheplygina, IT University Copenhagen DK, is invited to present her recent paper on methodological failures in ML for medical imaging and to discuss her interesting work on tackling limited access to labelled data. […]

Free

Julia for High-Performance Scientific Computing

Online

Julia is a modern high-level programming language which is both fast (on par with traditional HPC languages like Fortran and C) and relatively easy to write like Python or Matlab.

Free

Efficient materials modelling on HPC with QUANTUM ESPRESSO, Yambo and BigDFT

Online

This workshop will give a broad overview of important fundamental concepts for molecular and materials modelling on HPC,  with a focus on three of the most modern codes for electronic structure calculations (QUANTUM ESPRESSO, Yambo and BigDFT). Theory sections will be interleaved with practical demonstrations and hands-on exercises where participants will put their new knowledge to the test on the Vega EuroHPC JU supercomputer.  

Free

Python for Scientific Computing

Online

The workshop will be streamed via Twitch so that anyone may follow along without registration. However, ENCCS is hosting a Zoom room with expert helpers who will organise breakout rooms and provide hands-on assistance during exercise sessions.

Free

Developing Applications with the AMD ROCm Ecosystem

Online

Presented by AMD in collaboration with ENCCS. This four half-day online workshop will cover how to develop and port applications to run on AMD GPU and CPU hardware on top AMD-powered supercomputers. Participants will learn about the ROCm software development languages, libraries, and tools. They will also get a developer's view of the hardware that […]

Free

Targeting chemical accuracy with quantum Monte Carlo on LUMI

Online

Quantum mechanical simulations play an important role in scientific and industrial applications, where understanding at the atomistic and electronic level is needed. In this context, quantum Monte Carlo methods are first-principle electronic structure approaches that provide a stochastic solution to the Schrödinger equation and are placed at the high-end in the accuracy ladder of electronic […]

Free

SciML GPU Bootcamp

Online

Welcome to this SciML GPU Bootcamp! This online event will take place during two half-days on 21-22 February 2023 and is designed to teach researchers and engineers how scientific machine learning (SciML) can address domain-specific data challenges and extract insights from scientific datasets. The Bootcamp is co-organised by ENCCS, OpenACC.org and NVIDIA. SciML is an […]

Free