ENCCS comes together with NAISS to organise the VASP/EMTO Best Practices Workshop. During the workshop we will showcase how to run the VASP (Vienna Ab-initio Simulation Package) and the EMTO (Exact Muffin-Tin Orbitals) packages efficiently on supercomputers. Who is this workshop for? The workshop is mostly suitable for material scientists beginners and intermediate users at […]
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, SIESTA and Yambo). Participants will put their new knowledge to the test on the Leonardo EuroHPC JU supercomputer (https://leonardo-supercomputer.cineca.eu/hpc-system/) with theory sections and practical demonstrations and hands-on exercises.
Julia is a modern high-level programming language that is fast (on par with traditional HPC languages like Fortran and C) and relatively easy to write like Python or Matlab. It thus solves the “two-language problem”, i.e. when prototype code in a high-level language needs to be combined with or rewritten in a lower-level language to […]
Julia is a modern high-level programming language that is fast (on par with traditional HPC languages like Fortran and C) and relatively easy to write like Python or Matlab. It thus solves the “two-language problem”, i.e. when prototype code in a high-level language needs to be combined with or rewritten in a lower-level language to […]
This instructor training workshop is focused on helping competent practitioners and experts in various fields teach their knowledge to others. It also serves a kickstart to teaching ENCCS lessons. The two-half-day online workshop will present best practices in teaching technical topics both online and in-person and is based on past experiences from both ENCCS and […]
Python is an industry-standard programming language for working with data on all levels of the data analytics pipeline, thanks to the rich ecosystem of libraries ranging from generic numerical libraries to special-purpose and/or domain-specific packages which are often supported by large developer communities and stable funding sources. This online workshop is meant to give an […]
This is a two day online course given on Friday 9th and Monday 12th of June. On June 16 there will additionally be an optional mini-hackathon event where you are invited to bring your own code, that you want to port to GPUs, and get expert help from mentors. Graphical processing units (GPUs) are the […]
Overview 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 to which deep learning can be applied. This […]
About In this NSC NAISS-ENCCS workshop, including seminars and hands-on sessions, we will consider how to run the Vienna Ab-initio Simulation Package (VASP) efficiently on supercomputers. The workshop is mostly suitable for beginners and intermediate users at different stages and the focus will be on best practices for running VASP calculations. The hands-on part will […]
This CodeRefinery online workshop will take place for 6 half-days in two instalments, March 21-23 and March 28-30, 2023. In this course, you will become familiar with tools and best practices for version control and reproducibility in modern research software development. The main focus is on using Git for efficiently writing and maintaining research software. We will not teach […]
About the event Dardel is a Swedish flagship supercomputer operated by PDC at KTH in Stockholm. It is an HPE Cray EX system with AMD EPYC™ 64 core CPUs and AMD Instinct MI250X GPUs. Compute time on Dardel is available for academic research via NAISS. This hackathon is for teams of research software developers who want to […]
About the event The last year has seen an explosion in "creative Al", in particular, the performance of text generation models (such as chatGPT) and image generation models (such as Stable Diffusion, Dalle-2 and Midjourney) has left many outside of the field shocked by the suddenly impressive capabilities of Al. In this three-hour webinar, we […]
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 […]
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 […]
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 […]
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.
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.
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.
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. […]
In this course, you will become familiar with tools and best practices for scientific software development. This course will not teach a programming language, but we teach the tools you need to do programming well and avoid common inefficiency traps
This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 951732. The JU receives support from the European Union’s Horizon 2020 research and innovation programme and its associated countries .
