Spring School 2017: HPC for Life Sciences Welcome Stockholm, April - - PowerPoint PPT Presentation

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Spring School 2017: HPC for Life Sciences Welcome Stockholm, April - - PowerPoint PPT Presentation

Spring School 2017: HPC for Life Sciences Welcome Stockholm, April 2017 Michaela Barth PRACE Sweden Spring School 2017: HPC for Life Sciences jointly organized by PRACE & BioExcel Center of Excellence 65 students from 19 different


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Spring School 2017: HPC for Life Sciences

Welcome

Stockholm, April 2017 Michaela Barth PRACE Sweden

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Spring School 2017: HPC for Life Sciences

jointly organized by PRACE & BioExcel Center of Excellence

65 students

from 19 different countries

4 main speakers 5 tutors

4 full days

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Spring School 2017: HPC for Life Sciences

08:30-09:00 Registration

E3

09:00-09:15 Welcome Michaela Barth

E3

09:15-10:00 BioExcel Center of Excellence – Training Programme Vera Matser

E3

10:00-10:30 Coffee break 10:30-12:00 Molecular visualisations with VMD John Stone

E3

12:00-13:00 Lunch 13:00-13:45 How to use the PDC Supercomputing systems Henric Zazzi

E3

13:45-15:00 Hands-on VMD

Red / Orange

15:00-15:30 Coffee break 15:30-17:30 Hands-on VMD

Red / Orange

17:30 Welcome Dinner

Syster o Bror

Monday

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Welcome Dinner

  • @ Syster o Bror
  • 1 Glas of Beer, Wine or equivalent for free
  • Menu (everything will be marked):

Kyckling med örter och vitlök

Sallad på varmröktlax

Ört och vitlöks-marinerade champinjoner

Paj på spenat och rödlök

Vegetarisk lasagne

Hummus

Tzatziki

Marinerade oliver

Bakade rödbetor serveras med creme på chevré

Hembakat lantbröd med vispat smör

Kaffe med liten chokladbit

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SLIDE 5

Spring School 2017: HPC for Life Sciences

Tuesday

09:30 – 10:30 HPC Simulations with NAMD Jim Phillips

E3

10:30 – 11:00 Group Picture and Coffee Break Campus 11:00 – 12:00 HPC Simulations with NAMD

E3

12:00 – 13:00 Lunch 13:00 – 14:30 Hands-on NAMD

Red / Orange

14:30 – 15:00 Coffee Break 15:00 – 17:00 Hands-on NAMD

Red / Orange

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SLIDE 6

Spring School 2017: HPC for Life Sciences

Wednesday

09:30 – 10:30 HPC Simulations with GROMACS Erik Lindahl

E3

10:30 – 11:00 Coffee Break 11:00 – 12:00 HPC Simulations with GROMACS

E3

12:00 – 13:00 Lunch 13:00 – 14:30 Hands-on GROMACS

Red / Orange

14:30 – 15:00 Coffee Break 15:00 – 17:00 Hands-on GROMACS

Red / Orange

18:00 Guided Tour and Dinner

Vasa Museum

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SLIDE 7

Visiting the Vasa Museum

Starting with a Guided Tour through the Museum Dinner at the Restaurant

  • White asparagus from Germany with ramson Hollandaise, toasted almonds

and spring leafs

  • Corvers Kauter Terra 50, Riesling, Rheingau, Germany, organic
  • Pike-perch with green pea puree, Champagne sauce, chives, trout roe,

crispy cress and farmers beans

  • Vegetarian alternative: New seasonal vegetable risotto with truffle and

parmesan cheese crisp

  • Pouilly-Fumée "Villa Paulus" 2014, Masson-Blondelet, Loire, Frankrike
  • Swedish variation of tiramisu with sponge cake, apple compote and rum

raisins

  • Coffee

Guests with special requests will be taken care of separately

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Spring School 2017: HPC for Life Sciences

Thursday

09:30 – 10:30 HPC Simulations with AMBER Tom Cheatham

E3

10:30 – 11:00 Coffee Break 11:00 – 12:00 HPC Simulations with AMBER

E3

12:00 – 13:00 Lunch 13:00 – 14:30 Hands-on AMBER

Red / Orange

14:30 – 15:00 Coffee Break 15:00 – 15:20 Course Feedback Vera Matser

Red / Orange

15:20 – 17:00 Hands-on AMBER

Red / Orange

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SLIDE 9

Food

  • Will be served in front of E3 (also in the afternoons!)
  • Vegan, gluten free and allergy optimized food will be marked with names
  • Vegetarian food will be served along side with the rest of the food
  • Thursday no meat will be served since Friday is Long Friday
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Logistics

Spring School 2017: HPC for Life Sciences

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SLIDE 11

6102

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SLIDE 12

6102

Monday - Thursday 12:00 - 18:00

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Partnership for Advanced Computing in Europe

PRACE Research Infrastructure

  • 24 member countries
  • access to computing and data

management resources

  • access to services for large-scale

scientific and engineering applications

  • at the highest performance level.
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Partnership for Advanced Computing in Europe

PRACE Training Activities

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PRACE Training Offerings

PRACE-PP

2 Seasonal Schools

PRACE-1IP 4 Seasonal Schools

2 Workshops 1 EU-US Summer School PATCs (conception) Training Portal (establishment)

PRACE-2IP 4 Seasonal Schools

2 Workshops 2 International Summer School 6 PATCs (establishment) Training Portal (content) Training Surveys

PRACE-3IP

3 Seasonal Schools 1 International Summer School 6 PATCs (sustainability, industry) Training Portal (industry)

PRACE-4IP 6 Seasonal Schools

2 International Summer School 6 PATCs (assessment) Training Portal InDiCo On-demand Events MOOCs CodeVault

PRACE-5IP

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SLIDE 16

Seasonal Schools

  • Have been running since 2008
  • Offering top-quality face-to-face training events
  • Organised around / all over Europe
  • Topics range from generic intermediate to advanced
  • From programming techniques to more specialised topical schools
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SLIDE 17

PRACE Advanced Training Centres (PATCs)

  • Six PRACE members sites in Spain, Italy, Finland, UK, Germany and France

are the current PATCs.

  • PATC Programme 2016-2017 (until July)

–79 courses, 215 training days

  • New courses on forward-looking topics

–New hardware and programming paradigms –Data science

  • Collaboration with CoEs on several courses
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Training and Events Portal

  • www.training.prace-ri.eu
  • Single hub for the PRACE

training events, training material and tutorials

  • Number of page views

increased by 25% and number of users by 45% since 2014

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CodeVault and More

  • Repository of Open Source code samples

–https://gitlab.com/PRACE-4IP/CodeVault –Examples and model solutions of common HPC programming tasks

  • Possible to utilise in training and as building blocks of

real-world applications

–Anonymous read access

  • Best Practice Guides

–http://www.prace-ri.eu/best-practice-guides/

  • White Papers

–http://www.prace-ri.eu/white-papers/

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New/Upcoming Training Activities

  • On-demand events addressing the needs of the CoEs

−Needs for basic, intermediate, and advanced training

  • Launch of Massive Open Online Courses (MOOCs)

−First two held in March 2017

  • PRACE Training Centres (PTCs)

−Cover basic and advanced needs across Europe

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SLIDE 21

Goal: To inspire the next generation of software engineering, system administrators, and general users of HPC

PRACE Summer of HPC (SoHPC)

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PRACE Summer of HPC (SoHPC)

Training week + 2 months internship SoHPC 2015

  • 9 Partners/Sites
  • 20 (of 80) Students chosen
  • Training week in Barcelona

SoHPC 2016

  • 10 Partners/sites
  • 21 (of 110) students chosen
  • Training week in Juelich

SoHPC 2017

  • Registration was in January / February
  • Training week will be in in Ostrava, (CZ)
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SLIDE 23

6102

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Thank You! Questions? Enjoy the School!