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SUMMARY:VASP best practices workshop
DESCRIPTION:About\n\n\n\nIn this NSC NAISS-ENCCS workshop\, including seminars and hands-on sessions\, we will consider how to run the Vienna Ab-initio Simulation Package (VASP) efficiently on supercomputers. The workshop is mostly suitable for beginners and intermediate users at different stages and the focus will be on best practices for running VASP calculations. The hands-on part will be done at the Tetralith cluster in Sweden and EuroHPC JU Meluxina cluster. Parts of the seminars (to be made available for download) can also be of interest for advanced users. \n\n\n\nPrerequisites\n\n\n\n\nBasic experience with using the command line in a Linux/Unix environment\n\n\n\nUseful but not necessary: basic knowledge of electronic structure theory and/or DFT\n\n\n\n\nRegistration\n\n\n\nRegistration is now closed. \n\n\n\nTopics\n\n\n\nThe seminars include: \n\n\n\n\nbasic theory\, DFT and PAW-method\n\n\n\ngeneral introduction to VASP\, essential files and parameters\, workflow\n\n\n\nrunning VASP at HPC centers\, CPUs and GPUs (examples from NAISS)\n\n\n\nperformance analysis\n\n\n\ncommon issues\n\n\n\npost-processing tools\n\n\n\n\nThe hands-on sessions include: \n\n\n\n\nrunning VASP calculations step-by-step on the Tetralith or MeluXina\n\n\n\nQ&A\n\n\n\n\nMaterial\n\n\n\nMaterials for the seminars and hands-on sessions will be made available later. \n\n\n\nTentative Agenda\n\n\n\nBreaks: Apart from the 1h lunch break for people joining the hands-on sessions\, there will be 10-15 min breaks every hour. \n\n\n\nTuesday – 4 April 2023\n\n\n\n[ninja_tables id=”22050″]\n\n\n\nWednesday – 5 April 2023\n\n\n\n[ninja_tables id=”22051″]\n\n\n\nInstructors\n\n\n\n\nWeine Olovsson – Instructor (NSC)\n\n\n\nPavlin Mitev – Teaching assistant (Uppmax)\n\n\n\nDiana Iusan – Teaching assistant (Uppmax)\n\n\n\nLuis Casillas Trujillo – Teaching assistant (NSC)\n\n\n\n\nOrganization\n\n\n\nThis is event is organised by Weine Olovsson (NSC) and Thor Wikfeldt (ENCCS).  \n\n\n\nFollow our Events Schedule\n\n\n\nFollow us on Twitter and subscribe to our Newsletter to stay tuned to our events and other news. \n\n\n\n———— \n\n\n\nThis training is intended for users established in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 here https://ec.europa.eu/info/research-and-innovation/statistics/framework-programme-facts-and-figures/horizon-2020-country-profiles_en
URL:https://enccs.se/events/vasp-best-practices-workshop/
LOCATION:Online
CATEGORIES:Collaboration Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2023/02/VASP-workshop.jpg
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