Welcome to the latest edition of the SNIC training newsletter.   We newly advertise a workshop on Modern Fortran.

As a reminder we re-advertise events on the introduction training at NSC, training in using Git and R.   We also remind on the CodeRefinery event on Python programming and recently advertised ENCCS events.

Please note the date for the next zoom-in is the 17th November.

Overview

Introduction training for new users

• Online training and support event: “NSC introduction to Tetralith/Sigma”, 16 November 2022 at 10:00

Programming training

• Online course: Introduction to Git, 14-18 November 2022
• On-site/online course: The future of HPC programming - a Modern Fortran workshop, Umeå, 24 - 25 November 2022
• Online course: R in an HPC environment, 14 -15 December 2022

CodeRefinery event:

• Python for Scientific Computing, 22-25 November, 9:00-12:00 CEST

ENCCS training events:

• Developing Applications with the AMD ROCm Ecosystem,  29th November - 2nd December, 13:00-17:00 CEST
• Online ENCCS/MaX-CoE workshop: Efficient materials modelling on HPC with Quantum Espresso, Yambo and BigDFT, 14-17 November

Online interactive support and discussion forum:

• SNIC zoom-in - a virtual open-house, 17 November from 14:00 until 15:00

Introduction training for new users

Online training and support event: “NSC introduction to Tetralith/Sigma”, 16 November 2022 at 10:00

An online event with two parts:

• A short introduction suitable for new users to the NSC Tetralith (SNIC) and Sigma (LiU) clusters. Topics include the module system, submitting jobs, working with Python, allocating GPU:s for simulations or graphics and other useful information.
• An open session for questions with several NSC application experts attending.

Feel free to join (and leave) whenever depending on your interest. The online event is open for all present and prospective NSC users.

Time: 16 Nov 2022, 10:00 - ca. 11:15 Introduction, ca 11:15 - Open session

Zoom link for the NSC introduction event

The presentation will be available on the NSC introduction event page (NSC).

Programming training

Online course: Introduction to Git, 14-18 November 2022

Cooperation between UPPMAX and HPC2N,  PRACE training centre

This online course will be an introduction to version control, with a strong focus on Git. It will be taught over 5 half-days.

Some of the main concepts, like repositories, commits, trees, branches, and merges will be covered, as will many of the basic commands, like clone, add, push, pull, commit, and fork. We will also go one step beyond the basic concepts and explain the fundamentals of how commits and branches can be manually created by using so-called "plumbing" (low-level) subcommands.

The course will be completely online and we will use Zoom.

For more information and registration, please go to the Git-course page (HPC2N).

On-site/online course: The future of HPC programming - a Modern Fortran workshop, Umeå, 24 - 25 November 2022

Cooperation between LUNARC and UPPMAX

This course is a face-to-face event in Umeå with an option to participate online (also known as hybrid setting)

Fortran is the primordial HPC language. Its handling of multidimensional arrays have ensured that compilers can produce highly efficient code, and inclusion of coarrays in the 2008 standard made it the first major programming language with builtin support for parallelism. The 2008 inclusion of object-oriented modernised the language, bringing it on par with many of its contenders. In 2019 the Fortran standards committee started work on generics (templates). Templates are planned for the 202y release of Fortran, the one after the upcoming 2023 release.

The workshop will be hybrid. The on-site location is Umeå University (see below for rooms). It will also be streamed over Zoom. The url for the Zoom meeting will be distributed to participants shortly before the event.

For more information and access to registration, please visit the Fortran workshop page (HPC2N).

Online course: "R in an HPC environment", 14 -15 December 2022

Cooperation between PDC and HPC2N,  PRACE training centre

In this online course you will learn several strategies to write faster and more efficient code in R. This will be done in several steps starting from a serial code and then using existing packages to parallelize code so that it can take advantage of the many core architecture of Kebnekaise. An HPC cluster such as Kebnekaise is useful for R users because it can provide both more CPU power and memory than what a personal computer can offer but one needs to make code aware of these resources. We will explore ways to achieve the latter and when parallel algorithms are suitable and possible.

The course will be completely online and we will use Zoom.

For more information and registration, please go to the R-course page (HPC2N).

CodeRefinery events

Python for Scientific Computing, 22-25 November, 9:00-12:00 CEST

Python is a modern, object-oriented programming language, which has become popular in several areas of software development.  This course discusses how Python can be utilised in scientific computing.  The workshop starts by introducing the main Python package for numerical computing, NumPy, and discusses the SciPy toolbox for various scientific computing tasks as well as visualisation with the Matplotlib package.  In addition, it talks about how Python is used: related scientific libraries, reproducibility, and the broader ecosystem of science in Python.

This multilateral collaborative workshop is hosted by Aalto Scientific Computing (Aalto University, Finland) in partnership with CodeRefinery and ENCCS and other organisations. 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.

For further details and to register for the ENCCS Zoom room, please visit the Python event page at ENCCS.

If you prefer to follow the workshop by yourself on Twitch, you can sign up for email updates with practical information at the Python event page at Aalto University.

For more information (e.g. detailed schedule) see the Python event page at Aalto University.

ENCCS training events

Developing Applications with the AMD ROCm Ecosystem,  29th November - 2nd December, 13:00-17:00 CEST

This four half-day workshop will be presented by experts from AMD. It will cover how to develop and port applications to run on AMD GPU and CPU hardware on top AMD-powered supercomputers (for example Dardel at PDC in Stockholm and LUMI in Finland). Participants will learn about the ROCm software development languages, libraries, and tools. They will also get a developer’s view of the hardware that powers the system. This workshop will focus mostly on how to program applications to run on the GPU.

Participants will be expected to have some prior experience developing HPC applications, and some understanding of recent HPC computer hardware and the Linux operating system.

For further information and to register for this event, please visit the AMD ROCm event page (ENCCS).

Online ENCCS/MaX-CoE workshop: Efficient materials modelling on HPC with Quantum Espresso, Yambo and BigDFT, 14-17 November

In a rapidly evolving HPC landscape, electronic structure codes need to evolve fast in order to adapt to new hardware architectures. State-of-the-art electronic structure codes based on modern density functional theory (DFT) methods allow treating realistic molecular systems with a very high accuracy. However, due to the increased complexity of the codes, some extra skills are required from users in order to fully exploit their potential.

Organised jointly between ENCCS and the MAX Center of Excellence, 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. Best practices for efficient exploitation of HPC resources will be discussed, with particular emphasis on how to use the different schemes of data distribution (e.g. plane waves, pools, images) in combination with the different parallelization and acceleration schemes (MPI, OpenMP, GPU-offload) available in QE.

For further information and to register for this event, please visit the electronic structure code event page (ENCCS).

Online interactive support and discussion forum

SNIC zoom-in - a virtual open-house, 17 November from 14:00 until 15:00

You are invited to a virtual meeting room.  Inside the meeting room we like to discuss services offered by the SNIC centres  and how they can be used for your computational needs, help you process your data and visualise your results.  Participants are highly encouraged to pose their own questions.

For more information, please visit the SNIC zoom-in page.

Training overview

SNIC training webpage

In addition to these news letters we also provide a SNIC training webpage.

This webpage currently gives an overview on all courses currently planned. It provides links to more information and the actual registration. The webpage also includes training which is expected to be mostly of interest to individual SNIC centres. Information will be added to this page as it becomes available.