PRACE Training Course: 4-5 Feb. 2019 Introduction to Biomolecular modelling and Molecular dynamics in HPC

Introduction to Biomolecular modelling and Molecular dynamics in HPC

(Classical and Quantum)

4 – 5 February 2019

Purpose of the course

The purpose of this course is to present to existing and potential users of Molecular Dynamics packages the method, the necessary steps for a successful simulation, common practices, common mistakes. The steps for a complete simulation workflow i.e. system setup up to final properties evaluation will be presented using popular software packages.

PRACE Training Course: 11-12 Dec. 2018 «Efficient Use of HPC Systems»

The purpose of this course  is to present to existing and potential users of PRACE HPC systems an introduction on how to efficiently use these systems,their typical tools, software environment, compilers, libraries, MPI/OpenMP, batch system, etc.

The trainees will learn what the HPC systems offer, how they work and how to apply for access to these infrastructures – both PRACE Tier-1 and Tier-0.

PRACE PTC Course: Accelerator Programming

Accelerator Programming
GPU programming using CUDA
22 – 23 May 2018

The focus is to understand the basics of accelerator programming with the CUDA parallel computing platform model.

CUDA is a parallel computing platform and application programming interface (API) model created by NVIDIA. It allows software developers to use a CUDA-enabled graphics processing unit (GPU) for general purpose processing – an approach known as GPGPU. The CUDA platform is a software layer that gives direct access to the GPU’s virtual instruction set and parallel computational elements, for the execution of compute kernels.

The course also contains performance and best practice considerations, e.g., gpu libraries, performance optimizations, tools for debugging and profiling.

After the course the participants should have the basic skills needed for utilizing CUDA and OpenACC in new, or existing (own code) programs.