Hierarchical Dynamic Loop Self-Scheduling on Distributed-Memory Systems Using an MPI+MPI Approach

Computationally-intensive loops are the primary source of parallelism in scientific applications. Such loops are often irregular and a balanced execution of their loop iterations is critical for achieving high performance. However, several factors may lead to an imbalanced load execution, such as problem characteristics, algorithmic, and systemic variations. Dynamic loop self-scheduling (DLS) techniques are devised to mitigate these factors, and consequently, improve application performance. On distributed-memory systems, DLS techniques can be implemented using a hierarchical master-worker execution model and are, therefore, called hierarchical DLS techniques. These techniques self-schedule loop iterations at two levels of hardware parallelism: across and within compute nodes. Hybrid programming approaches that combine the message passing interface (MPI) with open multi-processing (OpenMP) dominate the implementation of hierarchical DLS techniques. The MPI-3 standard includes the feature of sharing memory regions among MPI processes. This feature introduced the MPI+MPI approach that simplifies the implementation of parallel scientific applications. The present work designs and implements hierarchical DLS techniques by exploiting the MPI+MPI approach. Four well-known DLS techniques are considered in the evaluation proposed herein. The results indicate certain performance advantages of the proposed approach compared to the hybrid MPI+OpenMP approach

The Design of a System Architecture for Mobile Multimedia Computers

This chapter discusses the system architecture of a portable computer, called Mobile Digital Companion, which provides support for handling multimedia applications energy efficiently. Because battery life is limited and battery weight is an important factor for the size and the weight of the Mobile Digital Companion, energy management plays a crucial role in the architecture. As the Companion must remain usable in a variety of environments, it has to be flexible and adaptable to various operating conditions. The Mobile Digital Companion has an unconventional architecture that saves energy by using system decomposition at different levels of the architecture and exploits locality of reference with dedicated, optimised modules. The approach is based on dedicated functionality and the extensive use of energy reduction techniques at all levels of system design. The system has an architecture with a general-purpose processor accompanied by a set of heterogeneous autonomous programmable modules, each providing an energy efficient implementation of dedicated tasks. A reconfigurable internal communication network switch exploits locality of reference and eliminates wasteful data copies

CERN openlab Whitepaper on Future IT Challenges in Scientific Research

This whitepaper describes the major IT challenges in scientific research at CERN and several other European and international research laboratories and projects. Each challenge is exemplified through a set of concrete use cases drawn from the requirements of large-scale scientific programs. The paper is based on contributions from many researchers and IT experts of the participating laboratories and also input from the existing CERN openlab industrial sponsors. The views expressed in this document are those of the individual contributors and do not necessarily reflect the view of their organisations and/or affiliates

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

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.Comment: Major revision, to appear in SIAM Revie

LEGaTO: first steps towards energy-efficient toolset for heterogeneous computing

LEGaTO is a three-year EU H2020 project which started in December 2017. The LEGaTO project will leverage task-based programming models to provide a software ecosystem for Made-in-Europe heterogeneous hardware composed of CPUs, GPUs, FPGAs and dataflow engines. The aim is to attain one order of magnitude energy savings from the edge to the converged cloud/HPC.Peer ReviewedPostprint (author's final draft