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DTSTAMP:20260711T105324Z
UID:26dfd68e-c4f0-498c-b04a-3be037468970
DTSTART:20220222T090000Z
DTEND:20220223T160000Z
DESCRIPTION:Introduction\nIn this workshop\, including seminars and hands-o
 n sessions\, we will consider how to run the Vienna Ab-initio Simulation P
 ackage (VASP) efficiently on supercomputers. The workshop is mostly suitab
 le for beginners at different stages and the focus will be on best practic
 es for running VASP calculations. The hands-on part will be done at the Te
 tralith cluster\, NSC\, Linköping University. Parts of the presentations 
 (to be made available for download) can also be of interest for advanced u
 sers.\n\nFor workshop materials and more info\, check the event page at NS
 C (in future moved to here).\n\nThe seminars will cover the following topi
 cs:\n\n\n	basic theory\, DFT and PAW-method\n	general introduction to VASP
 \, essential files and parameters\, workflow\n	running VASP at HPC centers
 \, CPUs and GPUs (examples from SNIC)\n	performance analysis\n	common issu
 es\n	post-processing tools\n\n\nThe hands-on sessions include:\n\n\n	runni
 ng VASP calculations step-by-step on the Tetralith cluster\n	using ThinLin
 c virtual desktop for login to Tetralith\n	Q&amp\;A\n\n\nRegistration (16 
 Dec - 15 Feb)\nThe number of hands-on participants are limited to ca. 30\,
  but it will still be possible to follow seminars (limit set to 90) and be
  put on a waiting list for hands-on access. Instructions for how to set up
  an account at Tetralith will be sent out in good time before the workshop
 .\n\nTentative Schedule\nThe workshop days 22-23rd Feb are split into semi
 nars before lunch and hands-on sessions after lunch. There will also be br
 eaks. The guided hands-on sessions will be led by instructors.\n\nTuesday 
 22nd Feb\n10:00 Seminar\, introduction + theory\n11:00 Seminar\, basics\n1
 2:00 Lunch\n13:00 Hands-on session (guided)\n15:00 Hands-on session (open)
 \n17:00 End of day\n\nWednesday 23rd Feb\n10:00 Seminar\, further topics\n
 11:00 Seminar\, cont.\n12:00 Lunch\n13:00 Hands-on session (guided)\n15:00
  Hands-on session (open)\n17:00 End of workshop\, closing\n\nMaterials\nTh
 e materials for the workshop will be put up at the corresponding event pag
 e at NSC. For reference in the future\, check under NSC past events.\n\nVe
 nue\nOnline via Zoom. Links and instructions for the workshop will be sent
  via email.\n\nOrganizers\nWeine Olovsson\, with helpers Diana Iusan (UPPM
 AX)\, Pavlin Mitev (UPPMAX) and Hamish Struthers.\nhttps://events.prace-ri
 .eu/event/1314/
SUMMARY:[ONLINE] VASP Best Practices Workshop @ SNIC
URL;VALUE=URI:https://events.prace-ri.eu/event/1314/
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