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

Exascale machines require new programming paradigms and runtimes

Extreme scale parallel computing systems will have tens of thousands of optionally accelerator-equiped nodes with hundreds of cores each, as well as deep memory hierarchies and complex interconnect topologies. Such Exascale systems will provide hardware parallelism at multiple levels and will be energy constrained. Their extreme scale and the rapidly deteriorating reliablity of their hardware components means that Exascale systems will exhibit low mean-time-between-failure values. Furthermore, existing programming models already require heroic programming and optimisation efforts to achieve high efficiency on current supercomputers. Invariably, these efforts are platform-specific and non-portable. In this paper we will explore the shortcomings of existing programming models and runtime systems for large scale computing systems. We then propose and discuss important features of programming paradigms and runtime system to deal with large scale computing systems with a special focus on data-intensive applications and resilience. Finally, we also discuss code sustainability issues and propose several software metrics that are of paramount importance for code development for large scale computing systems

A Taxonomy of Data Grids for Distributed Data Sharing, Management and Processing

Data Grids have been adopted as the platform for scientific communities that need to share, access, transport, process and manage large data collections distributed worldwide. They combine high-end computing technologies with high-performance networking and wide-area storage management techniques. In this paper, we discuss the key concepts behind Data Grids and compare them with other data sharing and distribution paradigms such as content delivery networks, peer-to-peer networks and distributed databases. We then provide comprehensive taxonomies that cover various aspects of architecture, data transportation, data replication and resource allocation and scheduling. Finally, we map the proposed taxonomy to various Data Grid systems not only to validate the taxonomy but also to identify areas for future exploration. Through this taxonomy, we aim to categorise existing systems to better understand their goals and their methodology. This would help evaluate their applicability for solving similar problems. This taxonomy also provides a "gap analysis" of this area through which researchers can potentially identify new issues for investigation. Finally, we hope that the proposed taxonomy and mapping also helps to provide an easy way for new practitioners to understand this complex area of research.Comment: 46 pages, 16 figures, Technical Repor

Towards resilient EU HPC systems: A blueprint

This document aims to spearhead a Europe-wide discussion on HPC system resilience and to help the European HPC community define best practices for resilience. We analyse a wide range of state-of-the-art resilience mechanisms and recommend the most effective approaches to employ in large-scale HPC systems. Our guidelines will be useful in the allocation of available resources, as well as guiding researchers and research funding towards the enhancement of resilience approaches with the highest priority and utility. Although our work is focused on the needs of next generation HPC systems in Europe, the principles and evaluations are applicable globally.This work has received funding from the European Union’s Horizon 2020 research and innovation programme under the projects ECOSCALE (grant agreement No 671632), EPI (grant agreement No 826647), EuroEXA (grant agreement No 754337), Eurolab4HPC (grant agreement No 800962), EVOLVE (grant agreement No 825061), EXA2PRO (grant agreement No 801015), ExaNest (grant agreement No 671553), ExaNoDe (grant agreement No 671578), EXDCI-2 (grant agreement No 800957), LEGaTO (grant agreement No 780681), MB2020 (grant agreement No 779877), RECIPE (grant agreement No 801137) and SDK4ED (grant agreement No 780572). The work was also supported by the European Commission’s Seventh Framework Programme under the projects CLERECO (grant agreement No 611404), the NCSA-Inria-ANL-BSC-JSCRiken-UTK Joint-Laboratory for Extreme Scale Computing – JLESC (https://jlesc.github.io/), OMPI-X project (No ECP-2.3.1.17) and the Spanish Government through Severo Ochoa programme (SEV-2015-0493). This work was sponsored in part by the U.S. Department of Energy's Office of Advanced Scientific Computing Research, program managers Robinson Pino and Lucy Nowell. This manuscript has been authored by UT-Battelle, LLC under Contract No DE-AC05-00OR22725 with the U.S. Department of Energy.Preprin