MaX Hackathon program

Max Hackathon Program

16-20 July 2018, Universitat Politècnica de Catalunya (UPC)

Printable version

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Monday 16 July

13:30 – 14:45 PM Registration

14:45 – 15:00  Welcome

Presentation of the work plan

15:00 – 15:15 Pietro Delugas (SISSA) – Tasks, Challenges and Objectives for the QE code

15:15 – 15:30 Davide Sangalli (CNR ISM) – Tasks, Challenges and Objectives for the Yambo code

15:30 – 15:45 Pablo Ordejón (ICN2) – Tasks, Challenges and Objectives for the Siesta code

15:45 – 16:00 Jens Broeder (Jülich Research Centre) – Tasks, Challenges and Objectives for the Fleur code

16:00 – 16:15 Giovanni Pizzi (EPFL) – Tasks, Challenges and Objectives for the Aiida platform

16:15 – 16:45 Coffee Break

17:45 – 17:30 Luigi Genovese (CEA) – I/O strategies: the experience in the BigDFT code (provisional)

17:30 – 18:40 Round table Addressing I/O: pro and cons of different strategies – Moderator Luigi Genovese

Tuesday 17 July

09:00 – 09:45 Joshua Romero (NVIDIA) – Porting to GPUs: the experience with CUDA Fortran on the Quantum ESPRESSO’s PWscf Solver

09:45 – 11:00 Hands-on session on GPU profiling and porting with CUDA Fortran – Joshua Romero (NVIDIA)

11:00 – 11:30 Coffee break

11:30 – 13:00 Hands-on session on GPU profiling and porting with CUDA Fortran (Cont’d)

13:00 – 14:45 Lunch

14:45 – 16:30 Coding session

16:30 – 17:00 Coffee break

17:00 -19:00 Coding session

Wednesday 18 July

09:00 – 09:45 Jesus Labarta (BSC, POP) – Best practices on code profiling

09:45 – 11:00  Hands-on session on code profiling – Jesus Labarta

11:00 – 11:30 Coffee Break

11:30 – 13:00  Coding session

13:00 – 14:45  Lunch

Interacting with Independent Software Vendors : Insights and challenges

14:45 – 15:15 Alexandr Fonari (Schoedinger) – Quantum ESPRESSO integration in Schrödinger’s Materials Science Suite: progress and challenges

15:15 – 15:45 Fabiano Corsetti (Synopsys QuantumWise) – DFT coding from academia to industry: a personal perspective

15:45 – 16:15 Daniel Simó (Simune) – TBA

16:15 – 16:45 Discussion. QM codes: ISVs and Industrial needs – Moderator: Paolo Giannozzi

16:45 – 17:15 Coffee Break

17:15 – 19:00 Coding session

20:30 – 00:0 Social Dinner at Restaurante Arenal
000000000 Passeig Marítim Barceloneta, s/n, 08003 Barcelona
000000000 https://goo.gl/maps/gtEBprA1o5N2

Thursday 19 July

09:00 – 09:45 Carlo Cavazzoni (Cineca) – Accelerating computation through Mixed precision coding strategies

09:45 – 11:00 Coding session

11:00 – 11:30 Coffee Break

11:30 – 13:00 Coding session

13:00 – 14:45 Lunch

14:45 – 17:00 Coding session

17:00 – 17:30 Coffee Break

17:30 – 19:00 Coding session

Friday 20 July

09:00 – 11:00 Coding session

11:00 – 11:30 Coffee Break

11:30 – 12:30 Farewell and wrap-up