VASP/EMTO Best Practices Workshop - Day 3
ENCCS came together with NAISS to organise the VASP/EMTO Best Practices Workshop. During the workshop experts showcased how to run the VASP (Vienna Ab-initio Simulation Package) and the EMTO (Exact Muffin-Tin Orbitals) packages efficiently on supercomputers.
The training material can be found here https://enccs.github.io/vasp-best-pra...
Who is this workshop for?
The workshop is mostly suitable for material scientists beginners and intermediate users at different stages and the focus will be on best practices for running VASP and EMTO calculations. Parts of the seminars can also be of interest for advanced users.
This workshop includes:
basic theory, DFT and PAW-method
general introduction to VASP and EMTO, essential files and parameters, workflow
running VASP at HPC centers, CPUs and GPUs (examples from NAISS)
performance analysis
common issues
post-processing tools
running VASP/EMTO calculations step-by-step on the Tetralith and LUMI/Leonardo clusters
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ENCCS (https://enccs.se) is based in Sweden and provides free training and support for accessing and using European supercomputers to companies and public organisations.
If you are a company or public authority based in Sweden interested in running your software or code on large European supercomputers please visit https://enccs.se or contact us at [email protected].
Are you located in a European country or an associated country? Contact your local competence centre to get help and advice. For more information on the competence centres please follow this link https://www.eurocc-access.eu.
More information on EuroHPC JU systems you can find by following this link https://eurohpc-ju.europa.eu/about/ou...
You can read more about the countries associated with Horizon2020 here https://ec.europa.eu/info/research-an...
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