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Displaying 18 speakers out of 18
A. DAL CORSO
The Phonon Package
A. KOHLMEYER
Software Development Basics
Concepts of Object Oriented Programming
Hands-on: OO Python Programming Examples
Linking with static and shared libraries using multiple programming languages
Hands-on: Multi-language programming
Tools for Debugging and Profiling
Hands-on: Debugging and Profiling
Modern Computer Architectures
Hands-on: Floating-point Math and Accuracy
Hands-on: Introduction to git, Set up Project repositories
Best Practices by Example
A. KOHLMEYER & I. GIROTTO
Hands-on: OpenCL Programming on CPUs and GPUs
A. KOHLMEYER & R. HOULIHAN
Unit and Regression Testing
C. CAVAZZONI
Large Scale Parallelism: the Car-Parrinello code
D. GRELLSCHEID
Python: Concepts and Design
Object Oriented Programming in Python
Writing Helpful Documentation for Users and Developers
Modern Source Code Management
Challenges of “Big Data”: Data handling at CERN
D. GRELLSCHEID & S. BROWN
Hands-on: Python, the Hard Way
Hands-on: Python, the Hard Way
E. KUCUKBENLI
LDA+U Implementation and Atomic Wavefunctions
I. GIROTTO
Workshop Overview
Hands-on: Introduction to OpenMP and threaded libraries
Hands-on: Memory Hierarchy and Optimization
Introduction to OpenCL
The QE-GPU Package
I. GIROTTO - A. KOHLMEYER - D. GRELLSCHEID - S. BROWN
Director perspective
Programming Project Presentations
Programming Project Presentations, Handing out of Certificates
J. BIDDISCOMBE
Effective File I/O
P. GIANNOZZI
Introduction to the QE Package
QE Package Building: Make & Configure
QE-forge: Best-Practise and Methodology
P. GIANNOZZI - A. KOHLMEYER - D. GRELLSCHIED
Project and Release Management
P. UMARI
Hands-on 1: Introduction to Practical Sections. Basic Post-Processing in Quantum ESPRESSO.
Hands-on 2: Introduction to Practical Sections. Basic Post-Processing in Quantum ESPRESSO.
Hands-on 1: Ultra-Soft Pseudopotential
Hands-on 2: Ultra-Soft Pseudopotential
Hands-on: Hamiltonian Matrix application – the h_psi function
Hands-on: Hamiltonian Matrix application – the h_psi function
S. BROWN
The Numpy and Scipy Python Modules
Hands-on: Using Numpy/Scipy in Python (performance vs. Self-written Matrix class)
Programming in C: Basic Syntax and Compilation
Hands-on: Extending Python with C code
Ways to Optimize Software
A guide to saving lives with computers
S. BROWN - D. GRELLSCHEID
Panel Discussion on Licensing
S. BROWN, I. GIROTTO, D. GRELLSCHEID, A. KOHLMEYER
Introduction to Programming Projects
S. DE GIRONCOLI
Software Framework, Modules and Parallel Layers
Introduction to the main packages: Pwscf code structure, Phonon and CP. Overview of the Atomic Units
PAW and Ultra-Soft Pseudopotentials
Description of the main trunks of the QE package: Projectors, Charge Density & Occupation of Kohn-Sham states
Hamiltonian Matrix and Calculation of Potential

Organizers

P. Giannozzi, I. Girotto, D. Grellscheid, A. Kohlmeyer, C. Onime, U. Singe, P. Umari