Parallel performance prediction for numerical codes in a multi-cluster environment

We propose a model for describing and predicting the performance of parallel numerical software on distributed memory architectures within a multi-cluster environment. The goal of the model is to allow reliable predictions to be made as to the execution time of a given code on a large number of processors of a given parallel system, and on a combination of systems, by only benchmarking the code on small numbers of processors. Thishas potential applications for the scheduling of jobs in a Grid computing environment where informed decisions about which resources to use in order to maximize the performance and/or minimize the cost of a job will be valuable. The methodology is built and tested for a particular class of numerical code, based upon the multilevel solution of discretized partial differential equations, and despite its simplicity it is demonstrated to be extremely accurate and robust with respect to both the processor and communications architectures considered. Furthermore,results are also presented which demonstrate that excellent predictions may also be obtained for numerical algorithms that are more general than the pure multigrid solver used to motivate the methodology. These are based upon the use of a practical parallel engineering code that is briefly described. The potential significance of this work is illustrated via two scenarios which consider a Grid user who wishes to use the available resources either (i) to obtain a particular result as quickly as possible, or (ii) to obtain results to different levels of accuracy. Index Terms—Parallel Distributed Algorithms; Grid Computing; Cluster Computing; Performance Evaluation and Prediction; Meta-Scheduling

Parallel performance prediction for multigrid codes on distributed memory architectures

We propose a model for describing the parallel performance of multigrid software on distributed memory architectures. The goal of the model is to allow reliable predictions to be made as to the execution time of a given code on a large number of processors, of a given parallel system, by only benchmarking the code on small numbers of processors. This has potential applications for the scheduling of jobs in a Grid computing environment where reliable predictions as to execution times on different systems will be valuable. The model is tested for two different multigrid codes running on two different parallel architectures and the results obtained are discussed

Performance analysis of parallel gravitational NN-body codes on large GPU cluster

We compare the performance of two very different parallel gravitational $N$-body codes for astrophysical simulations on large GPU clusters, both pioneer in their own fields as well as in certain mutual scales - NBODY6++ and Bonsai. We carry out the benchmark of the two codes by analyzing their performance, accuracy and efficiency through the modeling of structure decomposition and timing measurements. We find that both codes are heavily optimized to leverage the computational potential of GPUs as their performance has approached half of the maximum single precision performance of the underlying GPU cards. With such performance we predict that a speed-up of $200-300$ can be achieved when up to 1k processors and GPUs are employed simultaneously. We discuss the quantitative information about comparisons of two codes, finding that in the same cases Bonsai adopts larger time steps as well as relative energy errors than NBODY6++, typically ranging from $10-50$ times larger, depending on the chosen parameters of the codes. While the two codes are built for different astrophysical applications, in specified conditions they may overlap in performance at certain physical scale, and thus allowing the user to choose from either one with finetuned parameters accordingly.Comment: 15 pages, 7 figures, 3 tables, accepted for publication in Research in Astronomy and Astrophysics (RAA

The FlowSimulator framework for massively parallel CFD applications

In this paper the FlowSimulator framework for multi- disciplinary computational fluid dynamics simulations on high performance computer platforms is described. An overview of the provided functionality is given and possible benefits for tool developers as well as design engineers are presented

SPH-EXA: Enhancing the Scalability of SPH codes Via an Exascale-Ready SPH Mini-App

Numerical simulations of fluids in astrophysics and computational fluid dynamics (CFD) are among the most computationally-demanding calculations, in terms of sustained floating-point operations per second, or FLOP/s. It is expected that these numerical simulations will significantly benefit from the future Exascale computing infrastructures, that will perform 10^18 FLOP/s. The performance of the SPH codes is, in general, adversely impacted by several factors, such as multiple time-stepping, long-range interactions, and/or boundary conditions. In this work an extensive study of three SPH implementations SPHYNX, ChaNGa, and XXX is performed, to gain insights and to expose any limitations and characteristics of the codes. These codes are the starting point of an interdisciplinary co-design project, SPH-EXA, for the development of an Exascale-ready SPH mini-app. We implemented a rotating square patch as a joint test simulation for the three SPH codes and analyzed their performance on a modern HPC system, Piz Daint. The performance profiling and scalability analysis conducted on the three parent codes allowed to expose their performance issues, such as load imbalance, both in MPI and OpenMP. Two-level load balancing has been successfully applied to SPHYNX to overcome its load imbalance. The performance analysis shapes and drives the design of the SPH-EXA mini-app towards the use of efficient parallelization methods, fault-tolerance mechanisms, and load balancing approaches.Comment: arXiv admin note: substantial text overlap with arXiv:1809.0801

Performance analysis of direct N-body algorithms for astrophysical simulations on distributed systems

We discuss the performance of direct summation codes used in the simulation of astrophysical stellar systems on highly distributed architectures. These codes compute the gravitational interaction among stars in an exact way and have an O(N^2) scaling with the number of particles. They can be applied to a variety of astrophysical problems, like the evolution of star clusters, the dynamics of black holes, the formation of planetary systems, and cosmological simulations. The simulation of realistic star clusters with sufficiently high accuracy cannot be performed on a single workstation but may be possible on parallel computers or grids. We have implemented two parallel schemes for a direct N-body code and we study their performance on general purpose parallel computers and large computational grids. We present the results of timing analyzes conducted on the different architectures and compare them with the predictions from theoretical models. We conclude that the simulation of star clusters with up to a million particles will be possible on large distributed computers in the next decade. Simulating entire galaxies however will in addition require new hybrid methods to speedup the calculation.Comment: 22 pages, 8 figures, accepted for publication in Parallel Computin

Reproducibility, accuracy and performance of the Feltor code and library on parallel computer architectures

Feltor is a modular and free scientific software package. It allows developing platform independent code that runs on a variety of parallel computer architectures ranging from laptop CPUs to multi-GPU distributed memory systems. Feltor consists of both a numerical library and a collection of application codes built on top of the library. Its main target are two- and three-dimensional drift- and gyro-fluid simulations with discontinuous Galerkin methods as the main numerical discretization technique. We observe that numerical simulations of a recently developed gyro-fluid model produce non-deterministic results in parallel computations. First, we show how we restore accuracy and bitwise reproducibility algorithmically and programmatically. In particular, we adopt an implementation of the exactly rounded dot product based on long accumulators, which avoids accuracy losses especially in parallel applications. However, reproducibility and accuracy alone fail to indicate correct simulation behaviour. In fact, in the physical model slightly different initial conditions lead to vastly different end states. This behaviour translates to its numerical representation. Pointwise convergence, even in principle, becomes impossible for long simulation times. In a second part, we explore important performance tuning considerations. We identify latency and memory bandwidth as the main performance indicators of our routines. Based on these, we propose a parallel performance model that predicts the execution time of algorithms implemented in Feltor and test our model on a selection of parallel hardware architectures. We are able to predict the execution time with a relative error of less than 25% for problem sizes between 0.1 and 1000 MB. Finally, we find that the product of latency and bandwidth gives a minimum array size per compute node to achieve a scaling efficiency above 50% (both strong and weak)