Implementation and performance of FDPS: A Framework Developing Parallel Particle Simulation Codes

TL;DR

FDPS is a versatile framework that simplifies the development of parallel particle simulation codes, enabling efficient large-scale computations with minimal code complexity and demonstrating excellent scalability on supercomputers.

Contribution

This paper introduces FDPS, a framework that allows researchers to develop efficient parallel particle simulations with minimal coding effort and demonstrates its high performance and scalability.

Findings

Near-linear weak scaling up to full system of K computer

Simulation programs with around 120 lines of code

Achieved minimum calculation times of 30 ms for 10^7 particles

Abstract

We present the basic idea, implementation, measured performance and performance model of FDPS (Framework for developing particle simulators). FDPS is an application-development framework which helps the researchers to develop particle-based simulation programs for large-scale distributed-memory parallel supercomputers. A particle-based simulation program for distributed-memory parallel computers needs to perform domain decomposition, redistribution of particles, and gathering of particle information for interaction calculation. Also, even if distributed-memory parallel computers are not used, in order to reduce the amount of computation, algorithms such as Barnes-Hut tree method should be used for long-range interactions. For short-range interactions, some methods to limit the calculation to neighbor particles are necessary. FDPS provides all of these necessary functions for efficient parallel execution of particle-based simulations as "templates", which are independent of the actual data structure of particles and the functional form of the interaction. By using FDPS, researchers can write their programs with the amount of work necessary to write a simple, sequential and unoptimized program of O(N^2) calculation cost, and yet the program, once compiled with FDPS, will run efficiently on large-scale parallel supercomputers. A simple gravitational N-body program can be written in around 120 lines. We report the actual performance of these programs and the performance model. The weak scaling performance is very good, and almost linear speedup was obtained for up to the full system of K computer. The minimum calculation time per timestep is in the range of 30 ms (N=10^7) to 300 ms (N=10^9). These are currently limited by the time for the calculation of the domain decomposition and communication necessary for the interaction calculation. We discuss how we can overcome these bottlenecks.