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SNIC Training News Letter

No 164, 8 December 2022

– Published 8 December 2022

With SNIC coming to an end, we announce a number of training events to be given in 2023.  These trainings are offered by individual centres, which are currently collaborating within SNIC.  We also announce events headed by ENCCS.

There will be a last SNIC zoom-in on the 15th December.

Overview

Introduction training for new users

  • UPPMAX Introductory Course, 9-11 & 13 January 2023 (on campus)
  • UPPMAX training workshop: "Awk Workshop", Uppsala, 16-17 January 2023 (on campus)
  • Introduction to running R, Python, and Julia in HPC, 8-10 February 2023, Cooperation between HPC2N and UPPMAX, ONLINE

ENCCS training

  • Targeting chemical accuracy with quantum Monte Carlo on LUMI, 26-27 and 30-31 January 2023, 09:00 - 13:00 CET
  • SciML GPU Bootcamp, 21-22 February 2023, 09:00 - 13:00 CET
  • AMD GPU Hackathon, 7 and 14-16 March, 2023

Online interactive support and discussion forum:

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

Introduction training for new users

UPPMAX Introductory Course, January 9-11, and 13, 2023 (on campus)

This 4-day course provides an introduction to the high-performance computing (HPC) environment offered at UPPMAX.

It offers an overview on how the systems work and covers skills from basic Linux usage to more advanced tips and tricks, including Python scripting.

Participation is open to all existing and prospective UPPMAX users.

When: January 9-11, and 13, 2023.

Where: On campus: Trippelrummet, SciLifeLab/Navet, BMC, Uppsala.

For more information and registration, please visit the introductory course page at UPPMAX.

UPPMAX training workshop: "Awk Workshop", Uppsala, January 16-17, 2023 (on campus)

AWK is an interpreted programming language designed for text processing and typically used as a data extraction and reporting tool.

This two-day workshop aims to promote and demonstrate the flexibility of the tool, where the overhead of more sophisticated approaches and programming languages is not worth the bother.

Learn how to

  • use Awk as an advanced grep command, capable of arithmetic selection rules with control over the content of the matched lines
  • perform simple conversions, analysis or filter you data on the fly making it easy to plot or read in your favorite research tool
  • handle and take advantage of data split over multiple file data sets
  • use Awk as simple function or data generator
  • perform simple sanity checks on your results

The workshop aims to promote the awk tool for use in everyday research work and urges you to find solutions yourself rather than expecting ready-made ones. The material given during the seminar will not be a complete guide or a manual but rather an overview of the capabilities, particular strengths, and common disadvantages.

Venue: On campus, BMC, Navet (Trippelrummet),  Uppsala.

Links

Introduction to running R, Python, and Julia in HPC, 8-10 February 2023, Cooperation between HPC2N and UPPMAX, ONLINE

Learn how to run R, Python, and Julia at Swedish HPC centres. We will show you how to find and load the needed modules, how to write a batch script, as well as how to install and use your own packages, and more.

The course will consist of lectures interspersed with hands-on sessions where you get to try out what you have just learned.

This course will consist of three half-days, one for each language. Participation is open to all current and prospective users of SNIC/NAISS.

Time and date: 2023-02-(8-10)

Location: Online, Zoom

For more information and registration, see the R, Python, and Julia course page at HPC2N.

ENCCS training events

Targeting chemical accuracy with quantum Monte Carlo on LUMI, 26-27 and 30-31 January 2023, 09:00 - 13:00 CET

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 (QMC) 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 structure methods, representing a powerful tool when conventional techniques such as DFT are not reliable. Furthermore, QMC methods are among the few approaches in the field of quantum simulations that can fully exploit the potential of upcoming exascale supercomputers.

This workshop will provide a comprehensive introduction to QMC methods and their practical application in molecular systems with the combined use of Quantum Package and the quantum Monte Carlo CHAMP code developed in the context of European Commission funded TREX CoE. The workshop targets Ph.D. students and young researchers with no previous experience on QMC methods. It will provide both lectures, and hands-on tutorials running on LUMI, the first pre-exascale supercomputer of the EuroHPC Joint Undertaking which has now become the fastest and most energy-efficient supercomputer in Europe.

Further information and registration at the quantum Monte Carlo event page (ENCCS).

SciML GPU Bootcamp, 21-22 February 2023, 09:00 - 13:00 CET

Scientific machine learning (SciML) is an emerging multidisciplinary field which includes elements from applied and computational mathematics, computer science and the physical sciences. In particular, physics-informed neural networks (PINNs), a class of Deep Learning (DL) networks, can be applied to scientific applications solving linear and non-linear equations with demanding accuracy and computational performance requirements. PINNs are specifically designed to integrate scientific computing equations, such as Ordinary Differential Equations (ODE), Partial Differential Equations (PDE), non-linear and integral-differential equations into the DL network training.

This online event will take place during two half-days on 21-22 February 2023 and is designed to teach researchers and engineers how SciML can address domain-specific data challenges and extract insights from scientific datasets. The Bootcamp is co-organised by ENCCS, OpenACC.org and NVIDIA.

Further information and registration at the SciML GPU bootcamp page (ENCCS).

AMD GPU Hackathon, 7 and 14-16 March, 2023

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 SNIC.

This hackathon, which will be held in-person at KTH in Stockholm, is for teams of research software developers who want to accomplish one or more of the following goals:

1. Port their code to run on AMD Instinct™ GPUs using any of the GPU programming frameworks.

2. Improve the performance of code that already runs on AMD Instinct™ GPUs

3. Scale up their codes to multiple AMD Instinct™ GPUs

During the hackathon, project teams will be paired up with expert mentors from HPE, AMD, PDC and ENCCS who will guide them during the hackathon to accomplish their stated goals. Teams attending the event will be given access to the Dardel system ahead of the hackathon. Each team should have at least two members who are prepared to work full-time on their projects for the duration of the hackathon. We furthermore also strongly encourage diversity in project teams.

Further information and project submission at the AMD GPU hackathon page (ENCCS).

Online interactive support and discussion forum

SNIC zoom-in - a virtual open-house, 15 December 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.