TY - CONF
AB - Electronic structure calculations based on density-functional theory (DFT)
represent a significant part of today's HPC workloads and pose high demands on
high-performance computing resources. To perform these quantum-mechanical DFT
calculations on complex large-scale systems, so-called linear scaling methods
instead of conventional cubic scaling methods are required. In this work, we
take up the idea of the submatrix method and apply it to the DFT computations
in the software package CP2K. For that purpose, we transform the underlying
numeric operations on distributed, large, sparse matrices into computations on
local, much smaller and nearly dense matrices. This allows us to exploit the
full floating-point performance of modern CPUs and to make use of dedicated
accelerator hardware, where performance has been limited by memory bandwidth
before. We demonstrate both functionality and performance of our implementation
and show how it can be accelerated with GPUs and FPGAs.
AU - Lass, Michael
AU - Schade, Robert
AU - Kühne, Thomas
AU - Plessl, Christian
ID - 16898
T2 - Proc. International Conference for High Performance Computing, Networking, Storage and Analysis (SC)
TI - A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K
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 - CONF
AU - Groth, Stefan
AU - Grünewald, Daniel
AU - Teich, Jürgen
AU - Hannig, Frank
ID - 16852
T2 - Proceedings of the 17th ACM International Conference on Computing Frontiers (CF '2020)
TI - A Runtime System for Finite Element Methods in a Partitioned Global Address Space
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 - CONF
AB - Stratix 10 FPGA cards have a good potential for the acceleration of HPC workloads since the Stratix 10 product line introduces devices with a large number of DSP and memory blocks. The high level synthesis of OpenCL codes can play a fundamental role for FPGAs in HPC, because it allows to implement different designs with lower development effort compared to hand optimized HDL. However, Stratix 10 cards are still hard to fully exploit using the Intel FPGA SDK for OpenCL. The implementation of designs with thousands of concurrent arithmetic operations often suffers from place and route problems that limit the maximum frequency or entirely prevent a successful synthesis. In order to overcome these issues for the implementation of the matrix multiplication, we formulate Cannon's matrix multiplication algorithm with regard to its efficient synthesis within the FPGA logic. We obtain a two-level block algorithm, where the lower level sub-matrices are multiplied using our Cannon's algorithm implementation. Following this design approach with multiple compute units, we are able to get maximum frequencies close to and above 300 MHz with high utilization of DSP and memory blocks. This allows for performance results above 1 TeraFLOPS.
AU - Gorlani, Paolo
AU - Kenter, Tobias
AU - Plessl, Christian
ID - 15478
T2 - Proceedings of the International Conference on Field-Programmable Technology (FPT)
TI - OpenCL Implementation of Cannon's Matrix Multiplication Algorithm on Intel Stratix 10 FPGAs
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 -
TY - CONF
AU - Riebler, Heinrich
AU - Vaz, Gavin Francis
AU - Kenter, Tobias
AU - Plessl, Christian
ID - 1204
KW - htrop
SN - 9781450349826
T2 - Proc. ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming (PPoPP)
TI - Automated Code Acceleration Targeting Heterogeneous OpenCL Devices
ER -