10,493 research outputs found
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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'
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Comparison of Current Gravity Estimation and Determination Models
This paper will discuss the history of gravity estimation and determination models while analyzing methods that are in development. Some fundamental methods for calculating the gravity field include spherical harmonics solutions, local weighted interpolation, and global point mascon modeling (PMC). Recently, high accuracy measurements have become more accessible, and the requirements for high order geopotential modeling have become more stringent. Interest in irregular bodies, accurate models of the hydrological system, and on-board processing has demanded a comprehensive model that can quickly and accurately compute the geopotential with low memory costs. This trade study of current geopotential modeling techniques will reveal that each modeling technique has a unique use case. It is notable that the spherical harmonics model is relatively accurate but poses a cumbersome inversion problem. PMC and interpolation models, on the other hand, are computationally efficient, but require more research to become robust models with high levels of accuracy. Considerations of the trade study will suggest further research for the point mascon model. The PMC model should be improved through mascon refinement, direct solutions that stem from geodetic measurements, and further validation of the gravity gradient. Finally, the potential for each model to be implemented with parallel computation will be shown to lead to large improvements in computing time while reducing the memory cost for each technique.Aerospace Engineering and Engineering Mechanic
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
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
MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation
MADNESS (multiresolution adaptive numerical environment for scientific
simulation) is a high-level software environment for solving integral and
differential equations in many dimensions that uses adaptive and fast harmonic
analysis methods with guaranteed precision based on multiresolution analysis
and separated representations. Underpinning the numerical capabilities is a
powerful petascale parallel programming environment that aims to increase both
programmer productivity and code scalability. This paper describes the features
and capabilities of MADNESS and briefly discusses some current applications in
chemistry and several areas of physics
Yet another fast multipole method without multipoles --- Pseudo-particle multipole method
In this paper we describe a new approach to implement the O(N) fast multipole
method and tree method, which uses pseudoparticles to express the
potential field. The new method is similar to Anderson's method, which uses the
values of potential at discrete points to represent the potential field.
However, for the same expansion order the new method is more accurate and
computationally efficient.Comment: 14 pages, 2 figure
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
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