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 countries 4 main speakers 5 tutors 4 full days
Spring School 2017: HPC for Life Sciences Monday 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
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
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 E3 11:00 – 12:00 HPC Simulations with NAMD 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
Spring School 2017: HPC for Life Sciences Wednesday E3 09:30 – 10:30 HPC Simulations with GROMACS Erik Lindahl 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
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
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 Red / Orange 13:00 – 14:30 Hands-on AMBER 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
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
Spring School 2017: HPC for Life Sciences Logistics
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6102 Monday - Thursday 12:00 - 18:00
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.
Partnership for Advanced Computing in Europe PRACE Training Activities
PRACE Training Offerings PRACE-PP PRACE-1IP PRACE-2IP PRACE-3IP PRACE-4IP PRACE-5IP 4 Seasonal 4 Seasonal 6 Seasonal 2 Seasonal 3 Seasonal On-demand 2 Workshops 2 Workshops Schools Schools Schools Schools Schools Events 1 EU-US Summer 2 International 1 International 2 International School Summer School Summer School Summer School 6 PATCs PATCs 6 PATCs 6 PATCs (sustainability, (conception) (establishment) (assessment) industry) Training Portal Training Portal Training Portal Training Portal (establishment) (content) (industry) InDiCo Training Surveys MOOCs CodeVault
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
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
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
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/
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
PRACE Summer of HPC (SoHPC) Goal: To inspire the next generation of software engineering, system administrators, and general users of HPC
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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Thank You! Questions? Enjoy the School!
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