# Generic framework for data-race-free many-particle simulations on shared memory hardware

## TL;DR

This paper introduces a formal model and a domain-specific language inspired by Rust, enabling data-race-free, shared-memory many-particle simulations with deadlock prevention, demonstrated on molecular dynamics primitives.

## Contribution

It presents a novel abstract model and programming language ensuring data-race freedom in shared-memory particle simulations, including deadlock prevention strategies.

## Key findings

- Successfully guarantees data-race freedom in simulations.
- Demonstrates applicability on molecular dynamics primitives.
- Provides deadlock prevention method via graph representation.

## Abstract

Recently, there has been much progress in the formulation and implementation of methods for generic many-particle simulations. These models, however, typically either do not utilize shared memory hardware or do not guarantee data-race freedom for arbitrary particle dynamics. Here, we present both a abstract formal model of particle dynamics and a corresponding domain-specific programming language that can guarantee data-race freedom. The design of both the model and the language are heavily inspired by the Rust programming language that enables data-race-free general-purpose parallel computation. We also present a method of preventing deadlocks within our model by a suitable graph representation of a particle simulation. Finally, we demonstrate the practicability of our model on a number of common numerical primitives from molecular dynamics.