CSCS

CSCS User Lab Day – Meet the Swiss National Supercomputing Centre – Online Format

CSCS is delighted to invite you to the “2020 Virtual CSCS User Lab Day – Meet the Swiss National Supercomputing  Centre”, which will take place as a 2-half day online event on Monday, August 31 and Tuesday, September 1, 2020  from 9 AM to 12 PM.

AGENDA

August 31, 2020 – First Half Day

9:00 – 9:10 Welcome and Agenda, Maria Grazia Giuffreda

1. 9:10 – 10:00 Best Practices in HPC – ReFrame: how CSCS checks health and stability of the production compute environment

  • Application and Programming Environment Testing on Piz Daint. HPC systems are highly complex systems in all levels of integration; from the physical infrastructure up to the software stack provided to the end users. A small change in any of these levels could have an impact on the stability or the performance of the system. It is of crucial  importance, therefore, not only to make sure that the system is in a sane condition after every maintenance, but also to monitor its performance during production, so that possible problems are detected early enough and the quality of service is not compromised. In this talk, we will present how application and programming environment testing are performed for Piz Daint and how our users could contribute to this effort.

2. 10:10 – 11:00 Guidelines for Beginners – A Practical Introduction to CSCS HPC Infrastructure

  • How to access CSCS systems and manage computing resources efficiently.
  • CSCS user policies.
  • How to run batch jobs with Slurm.
  • How to submit requests for support
  • Data mover presentation: how to use transfer queue and globus online

3. 11:10 – 12:00 HPC and Cloud Convergence – Towards Flexibility and Reproducibility

  • Containers: new features and enhancements

11:00 – 12:00 Break-out Room for Questions (Any users with questions can join at any time)

September 1, 2020 – Second Half Day

9:00 – 9:10 Welcome and Agenda, Maria Grazia Giuffreda

4. 9:10 – 10:00 Guidelines for Principal Investigators – How to manage your project through the User Management Portal

  • projects
  • usage, quotas
  • accounts

5. 10:10 – 11:00 Guideline for Advanced Users – Libraries for Massively Parallel Many-Core and GPU-Accelerated HPC Simulations

  • Collective communication for message-passing system. Collective communication is part of many applications, mostly utilising the MPI standard. It is implemented in libraries using highly optimized algorithms. We present a prototype library which contains a new implementation of this functionality       known as persistent collective communication. In difference to this concept described in the literature our collectives are blocking.
  • The Kokkos C++ performance portability ecosystem. The Kokkos C++ performance portability ecosystem is a production-level solution for writing modern C++ applications in an hardware-agnostic way. It is part of the US Department of Energy’s Exascale Computing Project. Kokkos is now used by more than a hundred HPC projects, and Kokkos-based codes are running regularly at-scale on at least five of the top ten supercomputers in the world. This talk will give a brief introduction to the Kokkos ecosystem, the programming model, and applications using Kokkos at CSCS.
  • Short overview of CP2K and SIRIUS. DFT software became a very important tool for physicists, chemists and biologists. There is a large choice of programs implementing DFT methods but we will focus on two freely available codes CP2K and SIRIUS, which is directly integrated in the CP2K distribution. We will explain the differences between the two codes and give an example of computation that can be done using CP2K and SIRIUS together.

6. 11:10 – 12:00 Interactive Computing – JupyterLab, IJulia, and IPyParaview

  • New features in JupyterLab
  • Julia kernel in JuptyerLab
  • Paraview in JupyterLab

11:00 – 12:00 Break-out Room for Questions (Any users with questions can join at any time)

More details on this event available here.

Registration

All participants must register for the event. This event is addressed to the CSCS User Community only. Registered attendees will receive the ZOOM details for participation a few days prior to the webinar start. The link and password you will receive are unique to you and should not be shared with others.

Deadline for registration: Monday, August 24, 2020.

Inquiries

Please contact Maria Grazia Giuffreda (mgg@cscs.ch) for questions related to the event content and info@cscs.ch for questions related to the event logistics.

We look forward to virtually seeing you and talking to you!