Pipelining the Fast Multipole Method over a Runtime System

Fast Multipole Methods (FMM) are a fundamental operation for the simulation of many physical problems. The high performance design of such methods usually requires to carefully tune the algorithm for both the targeted physics and the hardware. In this paper, we propose a new approach that achieves high performance across architectures. Our method consists of expressing the FMM algorithm as a task flow and employing a state-of-the-art runtime system, StarPU, in order to process the tasks on the different processing units. We carefully design the task flow, the mathematical operators, their Central Processing Unit (CPU) and Graphics Processing Unit (GPU) implementations, as well as scheduling schemes. We compute potentials and forces of 200 million particles in 48.7 seconds on a homogeneous 160 cores SGI Altix UV 100 and of 38 million particles in 13.34 seconds on a heterogeneous 12 cores Intel Nehalem processor enhanced with 3 Nvidia M2090 Fermi GPUs.Comment: No. RR-7981 (2012

A sparse octree gravitational N-body code that runs entirely on the GPU processor

We present parallel algorithms for constructing and traversing sparse octrees on graphics processing units (GPUs). The algorithms are based on parallel-scan and sort methods. To test the performance and feasibility, we implemented them in CUDA in the form of a gravitational tree-code which completely runs on the GPU.(The code is publicly available at: http://castle.strw.leidenuniv.nl/software.html) The tree construction and traverse algorithms are portable to many-core devices which have support for CUDA or OpenCL programming languages. The gravitational tree-code outperforms tuned CPU code during the tree-construction and shows a performance improvement of more than a factor 20 overall, resulting in a processing rate of more than 2.8 million particles per second.Comment: Accepted version. Published in Journal of Computational Physics. 35 pages, 12 figures, single colum

A Tuned and Scalable Fast Multipole Method as a Preeminent Algorithm for Exascale Systems

Among the algorithms that are likely to play a major role in future exascale computing, the fast multipole method (FMM) appears as a rising star. Our previous recent work showed scaling of an FMM on GPU clusters, with problem sizes in the order of billions of unknowns. That work led to an extremely parallel FMM, scaling to thousands of GPUs or tens of thousands of CPUs. This paper reports on a a campaign of performance tuning and scalability studies using multi-core CPUs, on the Kraken supercomputer. All kernels in the FMM were parallelized using OpenMP, and a test using 10^7 particles randomly distributed in a cube showed 78% efficiency on 8 threads. Tuning of the particle-to-particle kernel using SIMD instructions resulted in 4x speed-up of the overall algorithm on single-core tests with 10^3 - 10^7 particles. Parallel scalability was studied in both strong and weak scaling. The strong scaling test used 10^8 particles and resulted in 93% parallel efficiency on 2048 processes for the non-SIMD code and 54% for the SIMD-optimized code (which was still 2x faster). The weak scaling test used 10^6 particles per process, and resulted in 72% efficiency on 32,768 processes, with the largest calculation taking about 40 seconds to evaluate more than 32 billion unknowns. This work builds up evidence for our view that FMM is poised to play a leading role in exascale computing, and we end the paper with a discussion of the features that make it a particularly favorable algorithm for the emerging heterogeneous and massively parallel architectural landscape

2HOT: An Improved Parallel Hashed Oct-Tree N-Body Algorithm for Cosmological Simulation

We report on improvements made over the past two decades to our adaptive treecode N-body method (HOT). A mathematical and computational approach to the cosmological N-body problem is described, with performance and scalability measured up to 256k ($2^{18}$) processors. We present error analysis and scientific application results from a series of more than ten 69 billion ($4096^3$) particle cosmological simulations, accounting for $4 \times 10^{20}$ floating point operations. These results include the first simulations using the new constraints on the standard model of cosmology from the Planck satellite. Our simulations set a new standard for accuracy and scientific throughput, while meeting or exceeding the computational efficiency of the latest generation of hybrid TreePM N-body methods.Comment: 12 pages, 8 figures, 77 references; To appear in Proceedings of SC '1

GADGET: A code for collisionless and gasdynamical cosmological simulations

We describe the newly written code GADGET which is suitable both for cosmological simulations of structure formation and for the simulation of interacting galaxies. GADGET evolves self-gravitating collisionless fluids with the traditional N-body approach, and a collisional gas by smoothed particle hydrodynamics. Along with the serial version of the code, we discuss a parallel version that has been designed to run on massively parallel supercomputers with distributed memory. While both versions use a tree algorithm to compute gravitational forces, the serial version of GADGET can optionally employ the special-purpose hardware GRAPE instead of the tree. Periodic boundary conditions are supported by means of an Ewald summation technique. The code uses individual and adaptive timesteps for all particles, and it combines this with a scheme for dynamic tree updates. Due to its Lagrangian nature, GADGET thus allows a very large dynamic range to be bridged, both in space and time. So far, GADGET has been successfully used to run simulations with up to 7.5e7 particles, including cosmological studies of large-scale structure formation, high-resolution simulations of the formation of clusters of galaxies, as well as workstation-sized problems of interacting galaxies. In this study, we detail the numerical algorithms employed, and show various tests of the code. We publically release both the serial and the massively parallel version of the code.Comment: 32 pages, 14 figures, replaced to match published version in New Astronomy. For download of the code, see http://www.mpa-garching.mpg.de/gadget (new version 1.1 available