227 research outputs found
Minimizing Communication for Eigenproblems and the Singular Value Decomposition
Algorithms have two costs: arithmetic and communication. The latter
represents the cost of moving data, either between levels of a memory
hierarchy, or between processors over a network. Communication often dominates
arithmetic and represents a rapidly increasing proportion of the total cost, so
we seek algorithms that minimize communication. In \cite{BDHS10} lower bounds
were presented on the amount of communication required for essentially all
-like algorithms for linear algebra, including eigenvalue problems and
the SVD. Conventional algorithms, including those currently implemented in
(Sca)LAPACK, perform asymptotically more communication than these lower bounds
require. In this paper we present parallel and sequential eigenvalue algorithms
(for pencils, nonsymmetric matrices, and symmetric matrices) and SVD algorithms
that do attain these lower bounds, and analyze their convergence and
communication costs.Comment: 43 pages, 11 figure
Minimizing Communication in Linear Algebra
In 1981 Hong and Kung proved a lower bound on the amount of communication
needed to perform dense, matrix-multiplication using the conventional
algorithm, where the input matrices were too large to fit in the small, fast
memory. In 2004 Irony, Toledo and Tiskin gave a new proof of this result and
extended it to the parallel case. In both cases the lower bound may be
expressed as (#arithmetic operations / ), where M is the size
of the fast memory (or local memory in the parallel case). Here we generalize
these results to a much wider variety of algorithms, including LU
factorization, Cholesky factorization, factorization, QR factorization,
algorithms for eigenvalues and singular values, i.e., essentially all direct
methods of linear algebra. The proof works for dense or sparse matrices, and
for sequential or parallel algorithms. In addition to lower bounds on the
amount of data moved (bandwidth) we get lower bounds on the number of messages
required to move it (latency). We illustrate how to extend our lower bound
technique to compositions of linear algebra operations (like computing powers
of a matrix), to decide whether it is enough to call a sequence of simpler
optimal algorithms (like matrix multiplication) to minimize communication, or
if we can do better. We give examples of both. We also show how to extend our
lower bounds to certain graph theoretic problems.
We point out recently designed algorithms for dense LU, Cholesky, QR,
eigenvalue and the SVD problems that attain these lower bounds; implementations
of LU and QR show large speedups over conventional linear algebra algorithms in
standard libraries like LAPACK and ScaLAPACK. Many open problems remain.Comment: 27 pages, 2 table
Introduction to StarNEig -- A Task-based Library for Solving Nonsymmetric Eigenvalue Problems
In this paper, we present the StarNEig library for solving dense
non-symmetric (generalized) eigenvalue problems. The library is built on top of
the StarPU runtime system and targets both shared and distributed memory
machines. Some components of the library support GPUs. The library is currently
in an early beta state and only real arithmetic is supported. Support for
complex data types is planned for a future release. This paper is aimed for
potential users of the library. We describe the design choices and capabilities
of the library, and contrast them to existing software such as ScaLAPACK.
StarNEig implements a ScaLAPACK compatibility layer that should make it easy
for a new user to transition to StarNEig. We demonstrate the performance of the
library with a small set of computational experiments.Comment: 10 pages, 4 figures (10 when counting sub-figures), 2 tex-files.
Submitted to PPAM 2019, 13th international conference on parallel processing
and applied mathematics, September 8-11, 2019. Proceedings will be published
after the conference by Springer in the LNCS series. Second author's first
name is "Carl Christian" and last name "Kjelgaard Mikkelsen
Algorithm-Based Fault Tolerance for Two-Sided Dense Matrix Factorizations
The mean time between failure (MTBF) of large supercomputers is decreasing, and future exascale computers are expected to have a MTBF of around 30 minutes. Therefore, it is urgent to prepare important algorithms for future machines with such a short MTBF. Eigenvalue problems (EVP) and singular value problems (SVP) are common in engineering and scientific research. Solving EVP and SVP numerically involves two-sided matrix factorizations: the Hessenberg reduction, the tridiagonal reduction, and the bidiagonal reduction. These three factorizations are computation intensive, and have long running times. They are prone to suffer from computer failures.
We designed algorithm-based fault tolerant (ABFT) algorithms for the parallel Hessenberg reduction and the parallel tridiagonal reduction. The ABFT algorithms target fail-stop errors. These two fault tolerant algorithms use a combination of ABFT and diskless checkpointing. ABFT is used to protect frequently modified data . We carefully design the ABFT algorithm so the checksums are valid at the end of each iterative cycle. Diskless checkpointing is used for rarely modified data. These checkpoints are in the form of checksums, which are small in size, so the time and storage cost to store them in main memory is small. Also, there are intermediate results which need to be protected for a short time window. We store a copy of this data on the neighboring process in the process grid.
We also designed algorithm-based fault tolerant algorithms for the CPU-GPU hybrid Hessenberg reduction algorithm and the CPU-GPU hybrid bidiagonal reduction algorithm. These two fault tolerant algorithms target silent errors. Our design employs both ABFT and diskless checkpointing to provide data redundancy. The low cost error detection uses two dot products and an equality test. The recovery protocol uses reverse computation to roll back the state of the matrix to a point where it is easy to locate and correct errors.
We provided theoretical analysis and experimental verification on the correctness and efficiency of our fault tolerant algorithm design. We also provided mathematical proof on the numerical stability of the factorization results after fault recovery. Experimental results corroborate with the mathematical proof that the impact is mild
The LAPW method with eigendecomposition based on the Hari--Zimmermann generalized hyperbolic SVD
In this paper we propose an accurate, highly parallel algorithm for the
generalized eigendecomposition of a matrix pair , given in a factored
form . Matrices and are generally complex
and Hermitian, and is positive definite. This type of matrices emerges from
the representation of the Hamiltonian of a quantum mechanical system in terms
of an overcomplete set of basis functions. This expansion is part of a class of
models within the broad field of Density Functional Theory, which is considered
the golden standard in condensed matter physics. The overall algorithm consists
of four phases, the second and the fourth being optional, where the two last
phases are computation of the generalized hyperbolic SVD of a complex matrix
pair , according to a given matrix defining the hyperbolic scalar
product. If , then these two phases compute the GSVD in parallel very
accurately and efficiently.Comment: The supplementary material is available at
https://web.math.pmf.unizg.hr/mfbda/papers/sm-SISC.pdf due to its size. This
revised manuscript is currently being considered for publicatio
Studies in Rheology: Molecular Simulation and Theory
With an enormous advance in the capability of computers during the last fewdecades, the computer simulation has become an important tool for scientific researches in many areas such as physics, chemistry, biology, and so on. In particular, moleculardynamics (MD) simulations have been proven to be of a great help in understanding the rheology of complex fluids from the fundamental microscopic viewpoint. There are two important standard flows in rheology: shear flow and elongational flow. While there exist suitable nonequilibrium MD (NEMD) algorithms of shear flows, such as the Lees-Edwards purely boundary-driven algorithm and the so-called SLLOD algorithm as a field-driven algorithm, a proper NEMD algorithm for elongational flow has been lacking. The main difficulty of simulating elongational flow lies in the limited simulation time available due to the contraction of one or two dimensions dictated by itskinematics. This problem, however, has been partially resolved by Kraynik and Reinelt’s ingenious discovery of the temporal and spatial periodicity of lattice vectors in planar elongational flow (PEF). Although there have been a few NEMD simulations of PEF using their idea, another serious defect has recently been reported when using the SLLOD algorithm in PEF: for adiabatic systems, the total linear momentum of the system in the contracting direction grows exponentially with time, which eventually leads to an aphysical phase transition.This problem has been completely resolved by using the so-called ‘proper-SLLOD’ or ‘p-SLLOD’ algorithm, whose development has been one of the mainaccomplishments of this study. The fundamental correctness of the p-SLLOD algorithm has been demonstrated quite thoroughly in this work through detailed theoretical analyses together with direct simulation results. Both theoretical and simulation works achieved in this research are expected to play a significant role in advancing the knowledge of rheology, as well as that of NEMD simulation itself for other types of flow in general. Another important achievement in this work is the demonstration of the possibility of predicting a liquid structure in nonequilibrium states by employing a concept of ‘hypothetical’ nonequilibrium potentials. The methodology developed in this work has been shown to have good potential for further developments in this field
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