events:2019_cp2k_workshop_ghent:index
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events:2019_cp2k_workshop_ghent:index [2019/03/06 12:34] – [Introduction to CP2K] jhutter | events:2019_cp2k_workshop_ghent:index [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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===== Agenda & Slides ===== | ===== Agenda & Slides ===== | ||
- | Tues 19th June | + | Monday 11th March |
- | * 12.00-13.30: Arrival | + | * 9.30-10.00: Arrival |
- | * 13.30-15.00: Introduction to CP2K, Setting up computer accounts | + | * 10.00-11.30: Gaussian and Plane Waves Method |
- | * {{events:2018_summer_school:cp2k_intro.pdf|Introduction and Overview of CP2K}} | + | * 11.30-11.45: |
- | * {{events:2018_summer_school:cp2k_accounts.pdf|Setting up computer accounts}} | + | * 11.45-13.00: |
- | * 15.00-15.30: Coffee | + | * 13.00-14.00: Lunch Break |
- | * 15.30-17.00: Running CP2K calculations, Intro to Exercises - Iain Bethune | + | * 14.00-17.00: Running CP2K calculations |
- | * {{events:2018_summer_school:running_cp2k_calculations.pdf|Running CP2K Calculations}} | + | |
- | * {{events:2018_summer_school:cp2k_exercises.pdf|Introduction to Exercises}} | + | |
- | + | ||
- | + | Tuesday 12th March | |
- | Wed 20th June | + | * 9.00-10.30: |
- | * 9.00-10.30: Gaussian and (Augmented) Plane Waves Method - Matt Watkins | + | |
- | * [[https:// | + | |
- | * [[events: | + | |
* 10.30-11.00: | * 10.30-11.00: | ||
- | * 11.00-12.00: SCF Methods - Diagonalisation & Orbital Transformation | + | * 11.00-12.30: Hybrid Functionals, |
- | * [[https:// | + | * 12.30-14.00: Lunch Break |
- | * {{events:2016_summer_school:20160824_SCF.pdf|Detailed notes}} | + | * 14.00-17.00: |
- | * 12.00-13.00: Lunch Break | + | |
- | * 13.00-15.00: Lightning talks and poster session | + | |
- | * 15.00-15.30: | + | |
- | * 15.30-17.00: | + | |
- | Thu 21st June | + | |
- | * 9.00-10.30: | + | * 9.00-10.30: |
* 10.30-11.00: | * 10.30-11.00: | ||
- | * 11.00-12.00: Parallel Performance | + | * 11.00-12.30: Parallelization, |
- | * {{events:2018_summer_school: | + | * 12.30-14.00: Lunch Break |
- | * {{events:2018_summer_school:archer-prace-hpce.pdf|ARCHER, PRACE & HPC Europa}} - Arno Proeme | + | * 14.00-17.00: Running |
- | * 12.00-13.00: Lunch Break | + | |
- | * 13.00-15.00: {{events: | + | |
- | * 15.00-15.30: | + | |
- | * 15.30-17.00: | + | |
- | + | ||
- | * 19.30: Dinner at [[https:// | + | |
- | + | ||
- | Fri 22nd June | + | |
- | * 9.00-10.30: Exercises | + | |
- | * 10.30-11.00: | + | |
- | * 11.00-12.00: | + | |
- | * 12.00: Lunch and depart | + | |
===== Exercises ===== | ===== Exercises ===== | ||
- | * {{events: | ||
- | * {{events: | ||
- | Some of the exercises below have instructions on how to run on other machines - please ignore them and follow the instructions for running on ARCHER, or your own machine. | + | Some of the exercises below have instructions on how to run on specific |
===Introductory exercises: | ===Introductory exercises: | ||
Line 73: | Line 51: | ||
* [[exercises: | * [[exercises: | ||
* [[exercises: | * [[exercises: | ||
+ | * [[exercises: | ||
===Extended exercises: | ===Extended exercises: |
events/2019_cp2k_workshop_ghent/index.1551875677.txt.gz · Last modified: 2020/08/21 10:14 (external edit)