NBODY6++GPU: Ready for the gravitational million-body problem

Accurate direct $N$-body simulations help to obtain detailed information about the dynamical evolution of star clusters. They also enable comparisons with analytical models and Fokker-Planck or Monte-Carlo methods. NBODY6 is a well-known direct $N$-body code for star clusters, and NBODY6++ is the extended version designed for large particle number simulations by supercomputers. We present NBODY6++GPU, an optimized version of NBODY6++ with hybrid parallelization methods (MPI, GPU, OpenMP, and AVX/SSE) to accelerate large direct $N$-body simulations, and in particular to solve the million-body problem. We discuss the new features of the NBODY6++GPU code, benchmarks, as well as the first results from a simulation of a realistic globular cluster initially containing a million particles. For million-body simulations, NBODY6++GPU is $400-2000$ times faster than NBODY6 with 320 CPU cores and 32 NVIDIA K20X GPUs. With this computing cluster specification, the simulations of million-body globular clusters including $5\%$ primordial binaries require about an hour per half-mass crossing time.Comment: 13 pages, 9 figures, 3 table

Improving the scalability of parallel N-body applications with an event driven constraint based execution model

The scalability and efficiency of graph applications are significantly constrained by conventional systems and their supporting programming models. Technology trends like multicore, manycore, and heterogeneous system architectures are introducing further challenges and possibilities for emerging application domains such as graph applications. This paper explores the space of effective parallel execution of ephemeral graphs that are dynamically generated using the Barnes-Hut algorithm to exemplify dynamic workloads. The workloads are expressed using the semantics of an Exascale computing execution model called ParalleX. For comparison, results using conventional execution model semantics are also presented. We find improved load balancing during runtime and automatic parallelism discovery improving efficiency using the advanced semantics for Exascale computing.Comment: 11 figure

The Parallelism Motifs of Genomic Data Analysis

Genomic data sets are growing dramatically as the cost of sequencing continues to decline and small sequencing devices become available. Enormous community databases store and share this data with the research community, but some of these genomic data analysis problems require large scale computational platforms to meet both the memory and computational requirements. These applications differ from scientific simulations that dominate the workload on high end parallel systems today and place different requirements on programming support, software libraries, and parallel architectural design. For example, they involve irregular communication patterns such as asynchronous updates to shared data structures. We consider several problems in high performance genomics analysis, including alignment, profiling, clustering, and assembly for both single genomes and metagenomes. We identify some of the common computational patterns or motifs that help inform parallelization strategies and compare our motifs to some of the established lists, arguing that at least two key patterns, sorting and hashing, are missing

Afivo: a framework for quadtree/octree AMR with shared-memory parallelization and geometric multigrid methods

Afivo is a framework for simulations with adaptive mesh refinement (AMR) on quadtree (2D) and octree (3D) grids. The framework comes with a geometric multigrid solver, shared-memory (OpenMP) parallelism and it supports output in Silo and VTK file formats. Afivo can be used to efficiently simulate AMR problems with up to about $10^{8}$ unknowns on desktops, workstations or single compute nodes. For larger problems, existing distributed-memory frameworks are better suited. The framework has no built-in functionality for specific physics applications, so users have to implement their own numerical methods. The included multigrid solver can be used to efficiently solve elliptic partial differential equations such as Poisson's equation. Afivo's design was kept simple, which in combination with the shared-memory parallelism facilitates modification and experimentation with AMR algorithms. The framework was already used to perform 3D simulations of streamer discharges, which required tens of millions of cells

A Parallel Tree code for large Nbody simulation: dynamic load balance and data distribution on CRAY T3D system

N-body algorithms for long-range unscreened interactions like gravity belong to a class of highly irregular problems whose optimal solution is a challenging task for present-day massively parallel computers. In this paper we describe a strategy for optimal memory and work distribution which we have applied to our parallel implementation of the Barnes & Hut (1986) recursive tree scheme on a Cray T3D using the CRAFT programming environment. We have performed a series of tests to find an " optimal data distribution " in the T3D memory, and to identify a strategy for the " Dynamic Load Balance " in order to obtain good performances when running large simulations (more than 10 million particles). The results of tests show that the step duration depends on two main factors: the data locality and the T3D network contention. Increasing data locality we are able to minimize the step duration if the closest bodies (direct interaction) tend to be located in the same PE local memory (contiguous block subdivison, high granularity), whereas the tree properties have a fine grain distribution. In a very large simulation, due to network contention, an unbalanced load arises. To remedy this we have devised an automatic work redistribution mechanism which provided a good Dynamic Load Balance at the price of an insignificant overhead.Comment: 16 pages with 11 figures included, (Latex, elsart.style). Accepted by Computer Physics Communication

A Fast Parallel Poisson Solver on Irregular Domains Applied to Beam Dynamic Simulations

We discuss the scalable parallel solution of the Poisson equation within a Particle-In-Cell (PIC) code for the simulation of electron beams in particle accelerators of irregular shape. The problem is discretized by Finite Differences. Depending on the treatment of the Dirichlet boundary the resulting system of equations is symmetric or `mildly' nonsymmetric positive definite. In all cases, the system is solved by the preconditioned conjugate gradient algorithm with smoothed aggregation (SA) based algebraic multigrid (AMG) preconditioning. We investigate variants of the implementation of SA-AMG that lead to considerable improvements in the execution times. We demonstrate good scalability of the solver on distributed memory parallel processor with up to 2048 processors. We also compare our SAAMG-PCG solver with an FFT-based solver that is more commonly used for applications in beam dynamics