Project

The project guides you through the process of writing your own MPI-parallel molecular dynamics code. You will implement increasingly complex features across 9 milestones.

Project Overview

This is a hands-on programming project where you will build a complete molecular dynamics simulator from scratch. The project is structured to teach you:

  • C++ programming practices and modern language features
  • Build systems (Meson) and compilation workflows
  • Parallel programming with MPI
  • Algorithm implementation and optimization
  • Testing and debugging practices
  • High-performance computing concepts

Getting Started

  1. Start with General Remarks to understand the requirements and prerequisites
  2. Follow the milestones sequentially from Milestone 1 through Milestone 9
  3. Refer to the Lecture and Notes for theoretical background and technical details

Milestones

  • Milestone 1 - Setting up the build environment
  • Milestone 2-9 - Progressive implementation of MD functionality

Final Report

At the end of the course, you will submit a Final Report documenting your implementation and results.

Submission

Each milestone should be implemented in your own GitHub repository based on the provided meson-skeleton template. Follow the instructions in General Remarks for setup details.