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events:2018_summer_school:index [2018/06/12 16:35]
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 ====== CP2K Summer School 2018 ====== ====== CP2K Summer School 2018 ======
 Material from the CP2K Summer School held at the [[https://​www.hartree.stfc.ac.uk/​Pages/​home.aspx|Hartree Centre]], STFC Daresbury, 19th-22nd June 2018 is listed below. Material from the CP2K Summer School held at the [[https://​www.hartree.stfc.ac.uk/​Pages/​home.aspx|Hartree Centre]], STFC Daresbury, 19th-22nd June 2018 is listed below.
 +
 +Group photo (click for full-size): {{events:​2018_summer_school:​group.jpg?​300}}
  
 ===== Agenda & Slides ===== ===== Agenda & Slides =====
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  Tues 19th June  Tues 19th June
   * 12.00-13.30:​ Arrival & Registration   * 12.00-13.30:​ Arrival & Registration
-  * 13.30-15.00:​ Introduction to CP2K, Setting up computer accounts ​& running jobs - Iain Bethune +  * 13.30-15.00:​ Introduction to CP2K, Setting up computer accounts - Iain Bethune 
-    * {{events:2016_summer_school:​cp2k_intro.pdf|Introduction and Overview of CP2K}} +    * {{events:2018_summer_school:​cp2k_intro.pdf|Introduction and Overview of CP2K}} 
-    * {{events:2016_summer_school:​running_cp2k_calculations.pdf|Running CP2K Calculations}} +    * {{events:2018_summer_school:​cp2k_accounts.pdf|Setting up computer accounts}}
-    * {{events:​2016_summer_school:​cp2k_accounts.pdf|Setting up computer accounts}}+
   * 15.00-15.30:​ Coffee Break   * 15.00-15.30:​ Coffee Break
-  * 15.30-17.00:​ Running CP2K calculations - Iain Bethune +  * 15.30-17.00:​ Running CP2K calculations, Intro to Exercises ​- Iain Bethune 
-    * {{events:2016_summer_school:​cp2k_exercises.pdf|Introduction to Exercises}}, Iain Bethune+    * {{events:2018_summer_school:​running_cp2k_calculations.pdf|Running CP2K Calculations}} 
 +    * {{events:​2018_summer_school:​cp2k_exercises.pdf|Introduction to Exercises}}
  
  
  Wed 20th June  Wed 20th June
-  * 9.00-10.30: Gaussian and (Augmented) Plane Waves Method: [[events:​2016_summer_school:​GPW|notes]], ​[[https://​mattatlincoln.github.io/​talks/​cp2k_summerschool_2016/#/​| ​slides]] - Matt Watkins+  * 9.00-10.30: Gaussian and (Augmented) Plane Waves Method ​- Matt Watkins 
 +    * [[https://​mattatlincoln.github.io/​talks/​cp2k_summerschool_2016/#/​|Slides]] 
 +    * [[events:​2016_summer_school:​GPW|Notes]]
   * 10.30-11.00:​ Coffee Break   * 10.30-11.00:​ Coffee Break
-  * 11.00-12.00:​ {{events:​2016_summer_school:​20160824_SCF.pdf|SCF Methods - Diagonalisation & Orbital Transformation}} - Matt Watkins+  * 11.00-12.00: ​SCF Methods - Diagonalisation & Orbital Transformation - Matt Watkins 
 +    * [[https://​mattatlincoln.github.io/​talks/​cp2k_summerschool_2018/​index.html#/​|Slides]] 
 +    * {{events:​2016_summer_school:​20160824_SCF.pdf|Detailed notes}}
   * 12.00-13.00:​ Lunch Break   * 12.00-13.00:​ Lunch Break
   * 13.00-15.00:​ Lightning talks and poster session   * 13.00-15.00:​ Lightning talks and poster session
   * 15.00-15.30:​ Coffee Break   * 15.00-15.30:​ Coffee Break
-  * 15.30-17.00:​ {{events:2016_summer_school:​cp2k_moving_atoms.pdf|Moving atoms - AIMD, geometry optimisation}} - Iain Bethune+  * 15.30-17.00:​ {{events:2018_summer_school:​cp2k_moving_atoms.pdf|Moving atoms - AIMD, geometry optimisation}} - Iain Bethune
  
 Thu 21st June Thu 21st June
-  * 9.00-10.30: Hybrid Functionals ​and ADMM - Sanliang Ling+  * 9.00-10.30: ​{{events:​2018_summer_school:​cp2k-uk-stfc-june-2018-sanliang-ling.pdf|Hybrid Functionals/ADMM & Dispersion Corrections}} ​- Sanliang Ling
   * 10.30-11.00:​ Coffee Break   * 10.30-11.00:​ Coffee Break
-  * 11.00-12.00:​ {{events:2016_summer_school:​cp2k_parallel.pdf|Parallel Performance}} - Iain Bethune+  * 11.00-12.00: ​Parallel Performance 
 +    * {{events:2018_summer_school:​cp2k_parallel.pdf|Parallel Performance}} - Iain Bethune 
 +    * {{events:​2018_summer_school:​archer-prace-hpce.pdf|ARCHER,​ PRACE & HPC Europa}} - Arno Proeme
   * 12.00-13.00:​ Lunch Break   * 12.00-13.00:​ Lunch Break
-  * 13.00-15.00:​ {{events:2016_summer_school:​building_cp2k.pdf|Building CP2K}} (optional) - Iain Bethune ​+  * 13.00-15.00:​ {{events:2018_summer_school:​building_cp2k.pdf|Building CP2K}} (optional) - Iain Bethune ​
   * 15.00-15.30:​ Coffee Break   * 15.00-15.30:​ Coffee Break
-  * 15.30-17.00: ​Exercises+  * 15.30-17.00: ​{{events:​2018_summer_school:​cp2k-workshop-benoit.pdf|Vibrational Analysis}} - David Benoit
  
-  * 19.30: Dinner at [[https://​www.chefandbrewer.com/​pubs/​cheshire/​ring-o-bells/​|Ring O' Bells]], Daresbury Village ({{ringobellsmenu.pdf|Menu}},​ [[https://​goo.gl/​forms/​kmvQRKOuZLHRosPj2|Selection form]])+  * 19.30: Dinner at [[https://​www.chefandbrewer.com/​pubs/​cheshire/​ring-o-bells/​|Ring O' Bells]], Daresbury Village ({{ringobellsmenu.pdf|Menu}},​ [[https://​goo.gl/​forms/​kmvQRKOuZLHRosPj2|Selection form]]), {{direct_route.pdf|Direct Route}}, {{scenic_route.pdf|Scenic Route}}
  
 Fri 22nd June Fri 22nd June
-  * 9.00-10.30: ​Advanced Topics+  * 9.00-10.30: ​Exercises
   * 10.30-11.00:​ Coffee Break   * 10.30-11.00:​ Coffee Break
   * 11.00-12.00:​ Exercises   * 11.00-12.00:​ Exercises
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   * {{events:​2016_summer_school:​archerQuickReference.pdf|ARCHER Quick Reference Sheet}}   * {{events:​2016_summer_school:​archerQuickReference.pdf|ARCHER Quick Reference Sheet}}
-  * {{events:2016_summer_school:runningOnARCHER.pdf|Instructions for running Parallel Jobs on ARCHER}}+  * {{events:2018_summer_school:archer.pdf|Instructions for running Parallel Jobs on ARCHER}}
  
 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 other machines - please ignore them and follow the instructions for running on ARCHER, or your own machine.
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   * [[howto:​converging_cutoff|Accuracy parameters: Converging CUTOFF and REL_CUTOFF]]   * [[howto:​converging_cutoff|Accuracy parameters: Converging CUTOFF and REL_CUTOFF]]
   * [[events:​2018_summer_school:​converging_cutoff|Converging CUTOFF for a more realistic problem]]   * [[events:​2018_summer_school:​converging_cutoff|Converging CUTOFF for a more realistic problem]]
 +  * [[events:​2018_summer_school:​scf_setup|Sensible SCF setups]]
   * [[howto:​geometry_optimisation|Geometry optimisation in CP2K]]   * [[howto:​geometry_optimisation|Geometry optimisation in CP2K]]
  
events/2018_summer_school/index.1528814124.txt.gz · Last modified: 2018/06/12 16:35 by ibethune