Preparing sparse solvers for exascale computing.

Sparse solvers provide essential functionality for a wide variety of scientific applications. Highly parallel sparse solvers are essential for continuing advances in high-fidelity, multi-physics and multi-scale simulations, especially as we target exascale platforms. This paper describes the challenges, strategies and progress of the US Department of Energy Exascale Computing project towards providing sparse solvers for exascale computing platforms. We address the demands of systems with thousands of high-performance node devices where exposing concurrency, hiding latency and creating alternative algorithms become essential. The efforts described here are works in progress, highlighting current success and upcoming challenges. This article is part of a discussion meeting issue 'Numerical algorithms for high-performance computational science'

Supporting 64-bit global indices in Epetra and other Trilinos packages -- Techniques used and lessons learned

The Trilinos Project is an effort to facilitate the design, development, integration and ongoing support of mathematical software libraries within an object-oriented framework. It is intended for large-scale, complex multiphysics engineering and scientific applications. Epetra is one of its basic packages. It provides serial and parallel linear algebra capabilities. Before Trilinos version 11.0, released in 2012, Epetra used the C++ int data-type for storing global and local indices for degrees of freedom (DOFs). Since int is typically 32-bit, this limited the largest problem size to be smaller than approximately two billion DOFs. This was true even if a distributed memory machine could handle larger problems. We have added optional support for C++ long long data-type, which is at least 64-bit wide, for global indices. To save memory, maintain the speed of memory-bound operations, and reduce further changes to the code, the local indices are still 32-bit. We document the changes required to achieve this feature and how the new functionality can be used. We also report on the lessons learned in modifying a mature and popular package from various perspectives -- design goals, backward compatibility, engineering decisions, C++ language features, effects on existing users and other packages, and build integration

The LifeV library: engineering mathematics beyond the proof of concept

LifeV is a library for the finite element (FE) solution of partial differential equations in one, two, and three dimensions. It is written in C++ and designed to run on diverse parallel architectures, including cloud and high performance computing facilities. In spite of its academic research nature, meaning a library for the development and testing of new methods, one distinguishing feature of LifeV is its use on real world problems and it is intended to provide a tool for many engineering applications. It has been actually used in computational hemodynamics, including cardiac mechanics and fluid-structure interaction problems, in porous media, ice sheets dynamics for both forward and inverse problems. In this paper we give a short overview of the features of LifeV and its coding paradigms on simple problems. The main focus is on the parallel environment which is mainly driven by domain decomposition methods and based on external libraries such as MPI, the Trilinos project, HDF5 and ParMetis. Dedicated to the memory of Fausto Saleri.Comment: Review of the LifeV Finite Element librar

Automating embedded analysis capabilities and managing software complexity in multiphysics simulation part I: template-based generic programming

An approach for incorporating embedded simulation and analysis capabilities in complex simulation codes through template-based generic programming is presented. This approach relies on templating and operator overloading within the C++ language to transform a given calculation into one that can compute a variety of additional quantities that are necessary for many state-of-the-art simulation and analysis algorithms. An approach for incorporating these ideas into complex simulation codes through general graph-based assembly is also presented. These ideas have been implemented within a set of packages in the Trilinos framework and are demonstrated on a simple problem from chemical engineering

T-infinity: The Dependency Inversion Principle for Rapid and Sustainable Multidisciplinary Software Development

The CFD Vision 2030 Study recommends that, NASA should develop and maintain an integrated simulation and software development infrastructure to enable rapid CFD technology maturation.... [S]oftware standards and interfaces must be emphasized and supported whenever possible, and open source models for noncritical technology components should be adopted. The current paper presents an approach to an open source development architecture, named T-infinity, for accelerated research in CFD leveraging the Dependency Inversion Principle to realize plugins that communicate through collections of functions without exposing internal data structures. Steady state flow visualization, mesh adaptation, fluid-structure interaction, and overset domain capabilities are demonstrated through compositions of plugins via standardized abstract interfaces without the need for source code dependencies between disciplines. Plugins interact through abstract interfaces thereby avoiding N 2 direct code-to-code data structure coupling where N is the number of codes. This plugin architecture enhances sustainable development by controlling the interaction between components to limit software complexity growth. The use of T-infinity abstract interfaces enables multidisciplinary application developers to leverage legacy applications alongside newly-developed capabilities. While rein, a description of interface details is deferred until the are more thoroughly tested and can be closed to modification