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MMM Hub Software Spotlight: CASTEP on the GPU – A crossover Tier-2 HPC virtual training event
19 September 2023 @ 1:00 pm – 2:30 pm
Speaker: Phil Hasnip, University of York
We are excited to announce a ‘software spotlight’ event across the MMM Hub, N8, and CSD3 Tier-2 consortia, to showcase a brand new release of the popular ‘CASTEP’ materials modelling package, which now features significant GPU acceleration. We welcome Phil Hasnip from York, who will showcase the capabilities of the CASTEP package from a research perspective and will use live demonstrations to show how the code can be efficiently run in practice – in particular multinode and new GPU acceleration capabilities on the ‘Young’ HPC infrastructure.
With demand for GPUs at historic highs (HPE leadtimes on new GPUs are at 52 weeks), we are very lucky to have access to the A100 GPUs on Young, which provide large amounts of RAM and compute enabling large simulations. This talk will provide an opportunity for CASTEP users to switch from a CPU implementation to use these currently underused GPU resources.
Meeting ID: 997 4649 6587