Scaling of Distributed Multi-Simulations on Multi-Core Clusters

International audienceDACCOSIM is a multi-simulation environment for continuous time systems, relying on FMI standard, making easy the design of a multi-simulation graph, and specially developed for multi-core PC clusters, in order to achieve speedup and size up. However, the distribution of the simulation graph remains complex and is still the responsibility of the simulation developer. This paper introduces DACCOSIM parallel and distributed architecture, and our strategies to achieve efficient multi-simulation graph distribution on multi-core clusters. Some performance experiments on two clusters, running up to 81 simulation components (FMU) and using up to 16 multi-core computing nodes, are shown. Performances measured on our faster cluster exhibit a good scalability, but some limitations of current DACCOSIM implementation are discussed

Applications on emerging paradigms in parallel computing

The area of computing is seeing parallelism increasingly being incorporated at various levels: from the lowest levels of vector processing units following Single Instruction Multiple Data (SIMD) processing, Simultaneous Multi-threading (SMT) architectures, and multi/many-cores with thread-level shared memory and SIMT parallelism, to the higher levels of distributed memory parallelism as in supercomputers and clusters, and scaling them to large distributed systems as server farms and clouds. All together these form a large hierarchy of parallelism. Developing high-performance parallel algorithms and efficient software tools, which make use of the available parallelism, is inevitable in order to harness the raw computational power these emerging systems have to offer. In the work presented in this thesis, we develop architecture-aware parallel techniques on such emerging paradigms in parallel computing, specifically, parallelism offered by the emerging multi- and many-core architectures, as well as the emerging area of cloud computing, to target large scientific applications. First, we develop efficient parallel algorithms to compute optimal pairwise alignments of genomic sequences on heterogeneous multi-core processors, and demonstrate them on the IBM Cell Broadband Engine. Then, we develop parallel techniques for scheduling all-pairs computations on heterogeneous systems, including clusters of Cell processors, and NVIDIA graphics processors. We compare the performance of our strategies on Cell, GPU and Intel Nehalem multi-core processors. Further, we apply our algorithms to specific applications taken from the areas of systems biology, fluid dynamics and materials science: pairwise Mutual Information computations for reconstruction of gene regulatory networks; pairwise Lp-norm distance computations for coherent structures discovery in the design of flapping-wing Micro Air Vehicles, and construction of stochastic models for a set of properties of heterogeneous materials. Lastly, in the area of cloud computing, we propose and develop an abstract framework to enable computations in parallel on large tree structures, to facilitate easy development of a class of scientific applications based on trees. Our framework, in the style of Google\u27s MapReduce paradigm, is based on two generic user-defined functions through which a user writes an application. We implement our framework as a generic programming library for a large cluster of homogeneous multi-core processor, and demonstrate its applicability through two applications: all-k-nearest neighbors computations, and Fast Multipole Method (FMM) based simulations

A Flexible Patch-Based Lattice Boltzmann Parallelization Approach for Heterogeneous GPU-CPU Clusters

Sustaining a large fraction of single GPU performance in parallel computations is considered to be the major problem of GPU-based clusters. In this article, this topic is addressed in the context of a lattice Boltzmann flow solver that is integrated in the WaLBerla software framework. We propose a multi-GPU implementation using a block-structured MPI parallelization, suitable for load balancing and heterogeneous computations on CPUs and GPUs. The overhead required for multi-GPU simulations is discussed in detail and it is demonstrated that the kernel performance can be sustained to a large extent. With our GPU implementation, we achieve nearly perfect weak scalability on InfiniBand clusters. However, in strong scaling scenarios multi-GPUs make less efficient use of the hardware than IBM BG/P and x86 clusters. Hence, a cost analysis must determine the best course of action for a particular simulation task. Additionally, weak scaling results of heterogeneous simulations conducted on CPUs and GPUs simultaneously are presented using clusters equipped with varying node configurations.Comment: 20 pages, 12 figure

Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest supercomputers in the world. Here, we describe some of the ways we have been able to realize this through the use of parallelization on all levels, combined with a constant focus on absolute performance. Release 4.6 of GROMACS uses SIMD acceleration on a wide range of architectures, GPU offloading acceleration, and both OpenMP and MPI parallelism within and between nodes, respectively. The recent work on acceleration made it necessary to revisit the fundamental algorithms of molecular simulation, including the concept of neighborsearching, and we discuss the present and future challenges we see for exascale simulation - in particular a very fine-grained task parallelism. We also discuss the software management, code peer review and continuous integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin

RELEASE: A High-level Paradigm for Reliable Large-scale Server Software

Erlang is a functional language with a much-emulated model for building reliable distributed systems. This paper outlines the RELEASE project, and describes the progress in the first six months. The project aim is to scale the Erlang’s radical concurrency-oriented programming paradigm to build reliable general-purpose software, such as server-based systems, on massively parallel machines. Currently Erlang has inherently scalable computation and reliability models, but in practice scalability is constrained by aspects of the language and virtual machine. We are working at three levels to address these challenges: evolving the Erlang virtual machine so that it can work effectively on large scale multicore systems; evolving the language to Scalable Distributed (SD) Erlang; developing a scalable Erlang infrastructure to integrate multiple, heterogeneous clusters. We are also developing state of the art tools that allow programmers to understand the behaviour of massively parallel SD Erlang programs. We will demonstrate the effectiveness of the RELEASE approach using demonstrators and two large case studies on a Blue Gene

Towards a Holistic View of the Heating and Cooling of the Intracluster Medium

(Abridged) X-ray clusters are conventionally divided into two classes: "cool core" (CC) clusters and "non-cool core" (NCC) clusters. Yet relatively little attention has been given to the origins of this dichotomy and, in particular, to the energetics and thermal histories of the two classes. We develop a model for the entropy profiles of clusters starting from the configuration established by gravitational shock heating and radiative cooling. At large radii, gravitational heating accounts for the observed profiles and their scalings well. However, at small and intermediate radii, radiative cooling and gravitational heating cannot be combined to explain the observed profiles of either type of cluster. The inferred entropy profiles of NCC clusters require that material is preheated prior to cluster collapse in order to explain the absence of low entropy (cool) material in these systems. We show that a similar modification is also required in CC clusters in order to match their properties at intermediate radii. In CC clusters, this modification is unstable, and an additional process is required to prevent cooling below a temperature of a few keV. We show that this can be achieved by adding a self-consistent AGN feedback loop in which the lowest-entropy, most rapidly cooling material is heated so that it rises buoyantly to mix with material at larger radii. The resulting model does not require fine tuning and is in excellent agreement with a wide variety of observational data. Some of the other implications of this model are briefly discussed.Comment: 27 pages, 13 figures, MNRAS accepted. Discussion of cluster heating energetics extended, results unchange