Enhancing Energy Production with Exascale HPC Methods

High Performance Computing (HPC) resources have become the key actor for achieving more ambitious challenges in many disciplines. In this step beyond, an explosion on the available parallelism and the use of special purpose processors are crucial. With such a goal, the HPC4E project applies new exascale HPC techniques to energy industry simulations, customizing them if necessary, and going beyond the state-of-the-art in the required HPC exascale simulations for different energy sources. In this paper, a general overview of these methods is presented as well as some specific preliminary results.The research leading to these results has received funding from the European Union's Horizon 2020 Programme (2014-2020) under the HPC4E Project (www.hpc4e.eu), grant agreement n° 689772, the Spanish Ministry of Economy and Competitiveness under the CODEC2 project (TIN2015-63562-R), and from the Brazilian Ministry of Science, Technology and Innovation through Rede Nacional de Pesquisa (RNP). Computer time on Endeavour cluster is provided by the Intel Corporation, which enabled us to obtain the presented experimental results in uncertainty quantification in seismic imagingPostprint (author's final draft

An investigation of the performance portability of OpenCL

This paper reports on the development of an MPI/OpenCL implementation of LU, an application-level benchmark from the NAS Parallel Benchmark Suite. An account of the design decisions addressed during the development of this code is presented, demonstrating the importance of memory arrangement and work-item/work-group distribution strategies when applications are deployed on different device types. The resulting platform-agnostic, single source application is benchmarked on a number of different architectures, and is shown to be 1.3–1.5× slower than native FORTRAN 77 or CUDA implementations on a single node and 1.3–3.1× slower on multiple nodes. We also explore the potential performance gains of OpenCL’s device fissioning capability, demonstrating up to a 3× speed-up over our original OpenCL implementation

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

Towards a Mini-App for Smoothed Particle Hydrodynamics at Exascale

The smoothed particle hydrodynamics (SPH) technique is a purely Lagrangian method, used in numerical simulations of fluids in astrophysics and computational fluid dynamics, among many other fields. SPH simulations with detailed physics represent computationally-demanding calculations. The parallelization of SPH codes is not trivial due to the absence of a structured grid. Additionally, the performance of the SPH codes can be, in general, adversely impacted by several factors, such as multiple time-stepping, long-range interactions, and/or boundary conditions. This work presents insights into the current performance and functionalities of three SPH codes: SPHYNX, ChaNGa, and SPH-flow. These codes are the starting point of an interdisciplinary co-design project, SPH-EXA, for the development of an Exascale-ready SPH mini-app. To gain such insights, a rotating square patch test was implemented as a common test simulation for the three SPH codes and analyzed on two modern HPC systems. Furthermore, to stress the differences with the codes stemming from the astrophysics community (SPHYNX and ChaNGa), an additional test case, the Evrard collapse, has also been carried out. This work extrapolates the common basic SPH features in the three codes for the purpose of consolidating them into a pure-SPH, Exascale-ready, optimized, mini-app. Moreover, the outcome of this serves as direct feedback to the parent codes, to improve their performance and overall scalability.Comment: 18 pages, 4 figures, 5 tables, 2018 IEEE International Conference on Cluster Computing proceedings for WRAp1

Correct and efficient accelerator programming

This report documents the program and the outcomes of Dagstuhl Seminar 13142 “Correct and Efficient Accelerator Programming”. The aim of this Dagstuhl seminar was to bring together researchers from various sub-disciplines of computer science to brainstorm and discuss the theoretical foundations, design and implementation of techniques and tools for correct and efficient accelerator programming

A Pure Java Parallel Flow Solver

In this paper an overview is given on the "Have Java" project to attain a pure Java parallel Navier-Stokes flow solver (JParNSS) based on the thread concept and remote method invocation (RMI). The goal of this project is to produce an industrial flow solver running on an arbitrary sequential or parallel architecture, utilizing the Internet, capable of handling the most complex 3D geometries as well as flow physics, and also linking to codes in other areas such as aeroelasticity etc. Since Java is completely object-oriented the code has been written in an object-oriented programming (OOP) style. The code also includes a graphics user interface (GUI) as well as an interactive steering package for the parallel architecture. The Java OOP approach provides profoundly improved software productivity, robustness, and security as well as reusability and maintainability. OOP allows code construction similar to the aerodynamic design process because objects can be software coded and integrated, reflecting actual design procedures. In addition, Java is the programming language of the Internet and thus Java is the programming language of the Internet and thus Java objects on disparate machines or even separate networks can be connected. We explain the motivation for the design of JParNSS along with its capabilities that set it apart from other solvers. In the first two sections we present a discussion of the Java language as the programming tool for aerospace applications. In section three the objectives of the Have Java project are presented. In the next section the layer structures of JParNSS are discussed with emphasis on the parallelization and client-server (RMI) layers. JParNSS, like its predecessor ParNSS (ANSI-C), is based on the multiblock idea, and allows for arbitrarily complex topologies. Grids are accepted in GridPro property settings, grids of any size or block number can be directly read by JParNSS without any further modifications, requiring no additional preparation time for the solver input. In the last section, computational results are presented, with emphasis on multiprocessor Pentium and Sun parallel systems run by the Solaris operating system (OS)