In collaboration with BioExcel, ENCCS is offering an online workshop on advanced GROMACS simulations taught by Dr Mark Abraham, Dr Christian Blau, Dr Artem Zhmurov and Dr. Alessandra Villa. The workshop will be all-virtual on 4 successive mornings January 12-15 2021, 09:00-12:30. Topics January 12 - Using umbrella-sampling ("pulling") simulationsJanuary 13 - Using replica-exchange molecular dynamicsJanuary 14 - […]
Welcome to the first CodeRefinery/ENCCS workshop and hackathon on software testing on March 17 and 24! In this event you will become familiar with tools and best practices for testing research software and get help in adopting these in your own projects by experienced mentors. Who is it for? Are you doing any of these […]
In this one-day training, we will give an overview of the capabilities and features of Nek5000, together with a hands-on session to install, run and postprocess some comparably simple flow cases. Nek5000 is a spectral-element based solver for CFD, and is available as an open source package. The code has become popular among researchers worldwide, mainly because of its relatively high accuracy per grid point, its parallel efficiency and the wide user community and available packages (e.g. statistics, linear stability, adjoints etc.).
This workshop will cover all foundational aspects of OpenFOAM, including an introduction to OpenFOAM enviroment as well as running on HPC resources. It will be useful for new users to broaden their basic knowledge of OpenFOAM.
This course gives advanced practical tips on how to run GROMACS MD simulations efficiently on modern hardware including both CPUs and GPUs. In addition to speeding up MD simulations, also workflow automation, advanced sampling techniques, and future developments are discussed. The course consists of lectures and hands-on exercises. GROMACS will be used in the exercise sessions.
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.
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.
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!
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 […]
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 […]
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.
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 […]
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 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 […]
Do you write code for your research? Do you manage data? Most importantly, are you doing it properly? Has it ever happened to you to have to rewrite or simply copy-paste codes from one folder to another, possibly losing things during the process? Have you ever opened an old code you wrote and had no […]
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 […]
This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 101101903. The JU receives support from the Digital Europe Programme and Germany, Bulgaria, Austria, Croatia, Cyprus, Czech Republic, Denmark, Estonia, Finland, Greece, Hungary, Ireland, Italy, Lithuania, Latvia, Poland, Portugal, Romania, Slovenia, Spain, Sweden, France, Netherlands, Belgium, Luxembourg, Slovakia, Norway, Iceland.
