ARCHER2 Weekly Newsletter

Slurm Maintenance

Wednesday 30th March

There will be a short interruption to the slurm batch system next Wednesday 30th March. We expect this to last around 20 minutes. During the maintenance, running jobs will continue to run without any interruption but users will be unable to submit new jobs. A wall message will be sent to all users logged onto the system, before and after the maintenance session.
If you are unable to submit a job during this time, please wait for the maintenance to complete and then resubmit your job. We apologise for any inconvenience caused by this essential maintenance.

Advanced use of LAMMPS

Online, 31 March 2022 10:00 - 16:00 BST

This lesson provides an overview of some more advanced techniques and uses of LAMMPS. Specifically, we will be discussing:

  • Measuring and improving LAMMPS performance
    • Strong vs weak scaling for a range of systems
    • Smarter domain decomposition
    • Accelerators and what they do
  • Using LAMMPS with Python
  • Analysing systems through reruns
  • Advanced sampling methods with a focus on replica exchange

Target Audience: For this lesson, we expect attendees to be familiar with LAMMPS. We will not be covering how to prepare and run a parallel LAMMPS simulation (and we will assume that all attendees know how to do this already).

Further details and registration:

Efficient use of the HPE Cray EX Supercomputer ARCHER2

Online, 5 - 7 April 2022 09:00 - 17:00 BST

This three day workshop will provide attendees with the knowledge required to understand the most optimal way to port, execute and optimize applications for ARCHER2. The workshop is a mixture of lectures and practical hands-on sessions. Example exercises will be provided but attendees are encouraged to bring their own applications.

Specific topics that will be covered include:

  • Cray EX System Architecture
  • Compiling and running applications ( Programming Environment, compilers, libraries, Slurm )
  • Debugging tools
  • Application profiling
  • Optimization of applications for serial performance, parallel execution and efficient use of I/O

This is an opportunity to learn about the system hardware and software architecture, direct from HPE Cray Centre of Excellence experts, and we do not expect to be able to repeat this opportunity in the near future. No recordings will be provided so we encourage you to sign up now to ensure your place.

Further details and registration:

Introduction to ARCHER2 for Software Developers

Online, 19 - 20 April 2022 10:00 - 16:00 BST

The lesson aims to answer the following questions:

  • What hardware is available on ARCHER2?
    • What does they consist of (login nodes, compute nodes, file systems, backup)?
    • How does this impact me as a user?
  • How can I access ARCHER2 interactively and transfer data?
  • What does the ARCHER2 application development environment look like and how do I use it?
  • How do I write job submission scripts and submit them to the ARCHER2 scheduler?
  • How can I be a good ARCHER2 citizen?
  • How can I check what resources I am using and look at historical usage?

Further details

Recently added Known Issues

The “Known Issues” page of the ARCHER2 Documentation lists all current open known issues including a description of the issue, its symptoms and any work-arounds.

  • No recently added issues

Upcoming ARCHER2 Training

  • Message-passing Programming with MPI, Online, always-open self-service course
  • Shared Memory Programming with OpenMP, Online, always-open self-service course
  • QM/MM with GROMACS + CP2K, Online, Always open - self-service course

  • Advanced use of LAMMPS, Online, 31 March 2022 10:00 - 16:00 BST
  • Efficient use of the HPE Cray EX Supercomputer ARCHER2, Online, 5 - 7 April 2022 09:00 - 17:00 BST
  • Introduction to ARCHER2 for Software Developers, Online, 19 - 20 April 2022 10:00 - 16:00 BST
  • High-resolution prediction of wind profile and wind turbine aerodynamics using CFD and HPC, Online webinar, Wednesday 20th April 2022 15:00 - 16:00
  • Introduction to GROMACS, Online, 21 April 2022 10:00 - 16:00 BST
  • Introduction to Modern Fortran, EPCC, Bayes Centre, University of Edinburgh, 26 - 27 April 2022 09:30 - 16:30 BST
  • HPC for CFD using Code_Saturne, Online, 27 - 28 April 2022 (27th 13:15-17:30, 28th 9:00-12:30 BST)

Further details

New virtual tutorials will be announced soon via: ARCHER2 website:


Recordings of past courses and virtual tutorials can be found here: