TY - JOUR
AB - N-body methods are one of the essential algorithmic building blocks of high-performance and parallel computing. Previous research has shown promising performance for implementing n-body simulations with pairwise force calculations on FPGAs. However, to avoid challenges with accumulation and memory access patterns, the presented designs calculate each pair of forces twice, along with both force sums of the involved particles. Also, they require large problem instances with hundreds of thousands of particles to reach their respective peak performance, limiting the applicability for strong scaling scenarios. This work addresses both issues by presenting a novel FPGA design that uses each calculated force twice and overlaps data transfers and computations in a way that allows to reach peak performance even for small problem instances, outperforming previous single precision results even in double precision, and scaling linearly over multiple interconnected FPGAs. For a comparison across architectures, we provide an equally optimized CPU reference, which for large problems actually achieves higher peak performance per device, however, given the strong scaling advantages of the FPGA design, in parallel setups with few thousand particles per device, the FPGA platform achieves highest performance and power efficiency.
AU - Menzel, Johannes
AU - Plessl, Christian
AU - Kenter, Tobias
ID - 28099
IS - 1
JF - ACM Transactions on Reconfigurable Technology and Systems
SN - 1936-7406
TI - The Strong Scaling Advantage of FPGAs in HPC for N-body Simulations
VL - 15
ER -
TY - JOUR
AU - Alhaddad, Samer
AU - Förstner, Jens
AU - Groth, Stefan
AU - Grünewald, Daniel
AU - Grynko, Yevgen
AU - Hannig, Frank
AU - Kenter, Tobias
AU - Pfreundt, Franz‐Josef
AU - Plessl, Christian
AU - Schotte, Merlind
AU - Steinke, Thomas
AU - Teich, Jürgen
AU - Weiser, Martin
AU - Wende, Florian
ID - 24788
JF - Concurrency and Computation: Practice and Experience
KW - tet_topic_hpc
SN - 1532-0626
TI - The HighPerMeshes framework for numerical algorithms on unstructured grids
ER -
TY - JOUR
AU - Meyer, Marius
AU - Kenter, Tobias
AU - Plessl, Christian
ID - 27364
JF - Journal of Parallel and Distributed Computing
SN - 0743-7315
TI - In-depth FPGA Accelerator Performance Evaluation with Single Node Benchmarks from the HPC Challenge Benchmark Suite for Intel and Xilinx FPGAs using OpenCL
ER -
TY - JOUR
AB - CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-theart ab initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post–Hartree–Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension.
AU - Kühne, Thomas
AU - Iannuzzi, Marcella
AU - Ben, Mauro Del
AU - Rybkin, Vladimir V.
AU - Seewald, Patrick
AU - Stein, Frederick
AU - Laino, Teodoro
AU - Khaliullin, Rustam Z.
AU - Schütt, Ole
AU - Schiffmann, Florian
AU - Golze, Dorothea
AU - Wilhelm, Jan
AU - Chulkov, Sergey
AU - Mohammad Hossein Bani-Hashemian, Mohammad Hossein Bani-Hashemian
AU - Weber, Valéry
AU - Borstnik, Urban
AU - Taillefumier, Mathieu
AU - Jakobovits, Alice Shoshana
AU - Lazzaro, Alfio
AU - Pabst, Hans
AU - Müller, Tiziano
AU - Schade, Robert
AU - Guidon, Manuel
AU - Andermatt, Samuel
AU - Holmberg, Nico
AU - Schenter, Gregory K.
AU - Hehn, Anna
AU - Bussy, Augustin
AU - Belleflamme, Fabian
AU - Tabacchi, Gloria
AU - Glöß, Andreas
AU - Lass, Michael
AU - Bethune, Iain
AU - Mundy, Christopher J.
AU - Plessl, Christian
AU - Watkins, Matt
AU - VandeVondele, Joost
AU - Krack, Matthias
AU - Hutter, Jürg
ID - 16277
IS - 19
JF - The Journal of Chemical Physics
TI - CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
VL - 152
ER -
TY - JOUR
AB - In scientific computing, the acceleration of atomistic computer simulations by means of custom hardware is finding ever-growing application. A major limitation, however, is that the high efficiency in terms of performance and low power consumption entails the massive usage of low precision computing units. Here, based on the approximate computing paradigm, we present an algorithmic method to compensate for numerical inaccuracies due to low accuracy arithmetic operations rigorously, yet still obtaining exact expectation values using a properly modified Langevin-type equation.
AU - Rengaraj, Varadarajan
AU - Lass, Michael
AU - Plessl, Christian
AU - Kühne, Thomas
ID - 12878
IS - 2
JF - Computation
TI - Accurate Sampling with Noisy Forces from Approximate Computing
VL - 8
ER -
TY - JOUR
AU - Platzner, Marco
AU - Plessl, Christian
ID - 12871
JF - Informatik Spektrum
SN - 0170-6012
TI - FPGAs im Rechenzentrum
ER -
TY - JOUR
AU - Riebler, Heinrich
AU - Vaz, Gavin Francis
AU - Kenter, Tobias
AU - Plessl, Christian
ID - 7689
IS - 2
JF - ACM Trans. Archit. Code Optim. (TACO)
KW - htrop
TI - Transparent Acceleration for Heterogeneous Platforms with Compilation to OpenCL
VL - 16
ER -
TY - JOUR
AB - We address the general mathematical problem of computing the inverse p-th
root of a given matrix in an efficient way. A new method to construct iteration
functions that allow calculating arbitrary p-th roots and their inverses of
symmetric positive definite matrices is presented. We show that the order of
convergence is at least quadratic and that adaptively adjusting a parameter q
always leads to an even faster convergence. In this way, a better performance
than with previously known iteration schemes is achieved. The efficiency of the
iterative functions is demonstrated for various matrices with different
densities, condition numbers and spectral radii.
AU - Richters, Dorothee
AU - Lass, Michael
AU - Walther, Andrea
AU - Plessl, Christian
AU - Kühne, Thomas
ID - 21
IS - 2
JF - Communications in Computational Physics
TI - A General Algorithm to Calculate the Inverse Principal p-th Root of Symmetric Positive Definite Matrices
VL - 25
ER -
TY - JOUR
AU - Mertens, Jan Cedric
AU - Boschmann, Alexander
AU - Schmidt, M.
AU - Plessl, Christian
ID - 6516
IS - 4
JF - Sports Engineering
SN - 1369-7072
TI - Sprint diagnostic with GPS and inertial sensor fusion
VL - 21
ER -
TY - JOUR
AB - Approximate computing has shown to provide new ways to improve performance
and power consumption of error-resilient applications. While many of these
applications can be found in image processing, data classification or machine
learning, we demonstrate its suitability to a problem from scientific
computing. Utilizing the self-correcting behavior of iterative algorithms, we
show that approximate computing can be applied to the calculation of inverse
matrix p-th roots which are required in many applications in scientific
computing. Results show great opportunities to reduce the computational effort
and bandwidth required for the execution of the discussed algorithm, especially
when targeting special accelerator hardware.
AU - Lass, Michael
AU - Kühne, Thomas
AU - Plessl, Christian
ID - 20
IS - 2
JF - Embedded Systems Letters
SN - 1943-0663
TI - Using Approximate Computing for the Calculation of Inverse Matrix p-th Roots
VL - 10
ER -