Welcome to the latest edition of the SNIC newsletter.   We newly announce introduction training for Vera and Alvis at C3SE, an online workshop on installing Python packages at UPPMAX and a workshop on intermediate MPI.  For those wanting to interact directly with SNIC experts, the next zoom-in is scheduled for the 5th of May.

We remind on the PDC summer school, the Quantum Computing workshop from ENCCS and would like to draw the OpenMolcas Workshop to your attention.

• Training for new users
  • Online introduction seminar for Vera users, 5 May, 10:00 - 12:00
• Training to use the Alvis system, dedicated to machine learning
  • Online introduction seminar for Alvis users, 3 May, 14:15 - 18:00
• Programming training
  • Online workshop: "Python at UPPMAX", 18th May 2022
  • PDC/HPC2N/ENCCS online workshop: Intermediate Topics in MPI, 14-17 June, 9:00-12:30
• Online interactive support and discussion forum:
  • SNIC zoom-in - a virtual open-house, 5 May from 14:00 until 15:00
• HPC summer school
  • PDC Summer School 2022: Introduction to High Performance Computing, 15-26 August 2022
• Training events from ENCCS
  • ENCCS Online Workshop: Introduction to Quantum Computing & Hybrid HPC-QC Systems, 8-9 June 2022
• OpenMolcas Developers’ Workshop
  • The 10th OpenMolcas Developers’ Workshop, Uppsala 8-10 June 2022 (also online)

Training for new users

Online introduction seminar for Vera users, 5th May, 10:00 - 12:00

In this online seminar we will show you how to use Vera. Zoom meeting will be at 10:00-12:00 via the Vera seminar Zoom link.

For more information see the C3SE website.

Training to use the Alvis system, dedicated to machine learning

Online introduction seminar for Alvis users, 3rd May, 14:15 - 18:00

In this online seminar we will show you how to use Alvis. The zoom meeting will be at 14:15-18:00 via the Alvis seminar Zoom link.

The second part of this seminar will be an optional workshop where users can go through a tutorial with help available and on reserved nodes on Alvis. To get access to the reserved resources you need to request membership to project SNIC 2021/7-120 two days before the seminar at the latest.

For more information see the C3SE website.

Programming training

Online workshop: "Python at UPPMAX", May 18, 2022

UPPMAX is organising a 1+1 hour interactive introduction on how to run and install additional Python packages on the computer resources provided by UPPMAX - Rackham, Snowy, and Bianca.

The following will be covered during the first hour:

• Loading the appropriate Python module from the software tree
• Installing additional packages in the common user space under $HOME
• Installing packages in Python virtual environments in project folders
• Using ‘conda’ to install packages in virtual environments - suitable approach for Bianca
• Alternative approaches

In the following hour, participants will be able to bring their particular software request for discussion with the UPPMAX application experts.

When: Wednesday, May 18, 2022.

Time: 10:00 - 12:00.

Where: online.

For more information and registration, please visit the Python workshop page at UPPMAX.

PDC/HPC2N/ENCCS online workshop: Intermediate Topics in MPI. June 14-17, 9:00-12:30

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 exercises will be written in C, but the instructors will be able to answer questions about MPI in Fortran and Python.

For further information and registration, please visit the MPI workshop page at ENCCS.

Online interactive support and discussion forum

SNIC zoom-in - a virtual open-house, 5th May 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.

Next zoom-in session: 5th May from 14:00 until 15:00

For more information and details on access, please visit the LUNARC zoom-in page.

HPC summerschool

PDC Summer School 2022: Introduction to High Performance Computing, 15-26 August 2022

The PDC Center for High Performance Computing (PDC) and the KTH School of Electrical Engineering and Computer Science (EECS) welcome you to our "Introduction to High Performance Computing" summer school.  Interested students and researchers (with academic or industrial/commercial backgrounds) from anywhere in the world are welcome to apply to attend the course.  This course provides the skills needed to utilise high-performance computing (HPC) resources, and includes an introduction to a range of important topics, such as:

• parallel algorithms
• parallel programming
• modern HPC architectures
• performance analysis and engineering
• software engineering

The course targets, in particular, computational and data scientists and therefore connections to different HPC use cases will be used to help illustrate these topics. The course consists of both lectures and guided hands-on lab sessions.

More information about the school, including a link to the application form, is available on the 2022 PDC Summer School webpage.

The deadline for applications is the 30 May 2022

Training events from ENCCS

Introduction to Quantum Computing & Hybrid HPC-QC Systems, online workshop. 9:00-16:00, June 8-9 2022

Recent developments in quantum technology are bringing the world closer to a new technological revolution – the advent of usable quantum computers able to provide enormous acceleration to important computational tasks . In coming years, quantum computing is expected to have a huge impact on practically all areas of research that can utilise computational modelling.

ENCCS is now joining forces with the new NordIQuEst project 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

Morning lectures are combined with afternoon hands-on sessions where participants learn to use high-level QC programming languages using simulators, as well as real QC hardware.

For further information and registration, see the quantum computing workshop page at ENCCS.

OpenMolcas Developers’ Workshop

The 10th OpenMolcas Developers’ Workshop, Uppsala 8-10 June 2022 (also online)

Welcome to 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 we have partnered up with TREX and ENCCS, which will help us with the organization, but most importantly will contribute to the scientific part as well!

The workshop will take place in sunny Uppsala, but as traveling might still be difficult for some the workshop is offered in a hybrid format, and anyone who registers is able to participate exclusively online.

For further information and registration, please visit the OpenMolcas workshop page at ENCCS.

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.