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ARCHER2 Weekly Newsletter

By ARCHER2 Service on November 27, 2024

Tags: newsletters 

Autumn 2024 UKRI Access to HPC Call open

Deadline: 28 November 2024 4:00pm UK time

ARCHER2 access page

Full details of UKRI call

No TA form required at application stage

Cross-vendor GPU development with C++ and SYCL

Online, 3 December 2024 09:00 - 17:00

SYCL is an open standard defined by the Khronos Group and allows programmers to write code for high-end GPUs across the biggest platforms like Intel, Nvidia and AMD, using both custom device kernels and optimised vendor libraries. This course will teach you the basics of the SYCL programming model, using the DPC++ compiler, and show how to run the same code on different GPU hardware. It will also touch on using high-performance libraries like oneMKL to get the best performance on these devices in domains like BLAS, FFT and others. oneMKL is based on the oneAPI specification and governed by the UXL Foundation.

Further information and registration

Introduction to LAMMPS

Online, 2nd and 9th December 2024 13:00 - 16:00

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a widely-used classical molecular dynamics (MD) code. This C++ code is easy to use, incredibly versatile, and parallelised to run efficiently on both small-scale personal computers and CPU/GPU/CPU&GPU HPC clusters. As of 2023, LAMMPS has been used, to some degree, in over 40,000 publications in fields as varied as chemistry, physics, material science, granular and lubricated-granular flow. The course will be divided into two parts:

  • The first part will be an introduction to setting up and running an MD simulation using LAMMPS. We will begin by running a simulation of a Lennard-Jones fluid before delving deeper into how simulations can be set up and run in LAMMPS.
  • The second part will go over advanced input commands, property calculations, outputs, input generation, data post-processing, and trajectory visualization.

Full details and registration

ARCHER2 Calendar 2025

As in previous years, we plan to produce a printed calendar featuring some of the images from the competition – you are most warmly invited to sign up to receive a copy, and these will be posted out in time for the new year.

Recently added known issues

The “Known Issues” page of the ARCHER2 Documentation https://docs.archer2.ac.uk/known-issues/ lists all current open known issues including a description of the issue, its symptoms and any work-arounds.

No recent issues.

Upcoming ARCHER2 Training

Further details of upcoming training

We always welcome researchers wishing to present their work in a webinar - please contact the Service Desk if you would be interested in presenting your work.

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Recordings of past courses

Recordings of past virtual tutorials