2022 HPC School

2022 HPC School Application Form Registration open till August 5th

Scientific and High Performance Computing School 2022

Final Program

29 August 2021 – 2 September 2022

Venue: The course will be held in the BIB room in the DICAM - Mesiano

Daily Schedule:

9:00 - 11:00 Lecture

11:00 - 11:30 Break

11:30 - 13:00 Lecture

13:00 - 14:00 Lunch break

14:00 - 16:00 Lecture

16:00 - 16:30 Break

16:30 - 18:00 Lecture

29 August 2022: Introduction to parallel computing and to bash scripting (Firas Dhaouadi & Ilya Peshkov)

■ Introduction to Parallel programming

■ Concept

■ Complexity analysis

■ Architecture (Shared memory vs Distributed memory)

■ Bash scripting introduction

■ Basic commands

■ Shell scripts & Makefile

■ Practical examples

■ Parallelizing a numerical integration

■ Parallelizing a simple finite-difference algorithm.

30 August 2022: Introduction to the HPC cluster. Best practices on HPC (Firas Dhaouadi)

■ Introduction to the HPC cluster

■ Hardware description:

Head nodes and storage nodes

Compute nodes: CPU and GPU nodes

Node communication: Infiniband and Omni-Path

■ Queueing system: public and private queues

■ Software: modules and compilers

Cluster usage:

Access and login

Transferring files

Job Processing

Interactive job submission

Bash job submission

Job arrays

Managing jobs

■ Best Practices for HPC

31 August 2022: Parallel computing with MPI. Applications to numerical methods for PDE (Firas Dhaouadi)

■ Introduction to Message Passing Interface (MPI)

■ Parallel computing overview

■ MPI fundamental concepts

■ Blocking and non-blocking communication

■ Collective communication

■ Parallelization of explicit and implicit finite volume methods

■ Description of parallel algorithms for computing and assembling stiffness matrices and solution of systems of linear equations

by using iterative methods, such as the conjugate gradient method

■ Partitioning of the computational domain, e.g. using Metis

■ Performing computations on each processor to update its own data set

■ Communicating data between processors by using message passage interface

■ Applications to Fluid and Solid Mechanics

1 September 2022: Atomistic Modelling (Raffaello Potestio, Luca Tubiana, Paolo Scardi, Eleonora Tomasino)

■ Molecular Dynamics (MD)

■ Basic concepts of statistical mechanics

■ MD methods

■ MD: Hands-on session

■ Preparing a simulation with LAMMPS

■ Worked out examples and practice

■ MD: applications

■ Modeling of polymers: DNA

■ Modeling of polymers: Fuel Cell membranes

■ Modeling of inorganic systems: elastic and thermal properties

2 September 2022: Exploiting HPC for Parallel Optimization (Nicola Anselmi, Alessandro Polo, Paolo Rocca, and Marco Salucci)

■ Optimization: Theory and Methods

■ Nature and Meaning of Optimization

■ The No-Free-Lunch Theorem

■ Deterministic/Local vs. Stochastic/Global Strategies

■ Introduction to Stochastic/Global Optimization Methods

■ Nature Inspired Optimization: the Genetic Algorithms

■ Optimization: Hands-on Practical Examples

■ Tips & Tricks for Serial-to-Parallel Software Upgrade (OpenMP, MATLAB, ANSYS)

■ Parallel Evolutionary Optimization

■ Benchmark Functions

■ Practical Engineering Problems

2022 HPC School Application Form Registration is open till July 15th


Organizing committee:

Nicola Anselmi, Firas Dhaouadi, Michael Dumbser, Ilya Peshkov, Alessandro Polo, Raffaello Potestio, Paolo Rocca, Marco Salucci, Paolo Scardi, Eleonora Tomasino, Luca Tubiana.

Project website: http://mas.unitn.it/

Università di Trento
Via Calepina, 14 - I -38122 Trento
P.IVA-C.F. 00340520220
Reception Rettorato +39 0461 281111
ateneo@pec.unitn.it - ateneo@unitn.it

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