Parallel language constructs for tensor product computations on loosely coupled architectures

Distributed memory architectures offer high levels of performance and flexibility, but have proven awkard to program. Current languages for nonshared memory architectures provide a relatively low level programming environment, and are poorly suited to modular programming, and to the construction of libraries. A set of language primitives designed to allow the specification of parallel numerical algorithms at a higher level is described. Tensor product array computations are focused on along with a simple but important class of numerical algorithms. The problem of programming 1-D kernal routines is focused on first, such as parallel tridiagonal solvers, and then how such parallel kernels can be combined to form parallel tensor product algorithms is examined

A bibliography on parallel and vector numerical algorithms

This is a bibliography of numerical methods. It also includes a number of other references on machine architecture, programming language, and other topics of interest to scientific computing. Certain conference proceedings and anthologies which have been published in book form are listed also

An alternating direction implicit method for the Control Data STAR-100 vector computer

An implementation of the alternating direction implicit (ADI) method for the Control Data STAR-100 computer is presented and analyzed. Two parallel algorithms, both of which are most efficient when used to solve many independent tridiagonal systems of equations, are discussed relative to their usefulness in an ADI implementation on the STAR-100 computer. It is shown that it may be desirable to alternate between the parallel algorithms as the direction of implicitness is alternated in order to eliminate the data rearrangement which would otherwise be required. The applicability of the two parallel tridiagonal solvers to several other numerical algorithms is also discussed

Novel Modifications of Parallel Jacobi Algorithms

We describe two main classes of one-sided trigonometric and hyperbolic Jacobi-type algorithms for computing eigenvalues and eigenvectors of Hermitian matrices. These types of algorithms exhibit significant advantages over many other eigenvalue algorithms. If the matrices permit, both types of algorithms compute the eigenvalues and eigenvectors with high relative accuracy. We present novel parallelization techniques for both trigonometric and hyperbolic classes of algorithms, as well as some new ideas on how pivoting in each cycle of the algorithm can improve the speed of the parallel one-sided algorithms. These parallelization approaches are applicable to both distributed-memory and shared-memory machines. The numerical testing performed indicates that the hyperbolic algorithms may be superior to the trigonometric ones, although, in theory, the latter seem more natural.Comment: Accepted for publication in Numerical Algorithm

Hierarchical fractional-step approximations and parallel kinetic Monte Carlo algorithms

We present a mathematical framework for constructing and analyzing parallel algorithms for lattice Kinetic Monte Carlo (KMC) simulations. The resulting algorithms have the capacity to simulate a wide range of spatio-temporal scales in spatially distributed, non-equilibrium physiochemical processes with complex chemistry and transport micro-mechanisms. The algorithms can be tailored to specific hierarchical parallel architectures such as multi-core processors or clusters of Graphical Processing Units (GPUs). The proposed parallel algorithms are controlled-error approximations of kinetic Monte Carlo algorithms, departing from the predominant paradigm of creating parallel KMC algorithms with exactly the same master equation as the serial one. Our methodology relies on a spatial decomposition of the Markov operator underlying the KMC algorithm into a hierarchy of operators corresponding to the processors' structure in the parallel architecture. Based on this operator decomposition, we formulate Fractional Step Approximation schemes by employing the Trotter Theorem and its random variants; these schemes, (a) determine the communication schedule} between processors, and (b) are run independently on each processor through a serial KMC simulation, called a kernel, on each fractional step time-window. Furthermore, the proposed mathematical framework allows us to rigorously justify the numerical and statistical consistency of the proposed algorithms, showing the convergence of our approximating schemes to the original serial KMC. The approach also provides a systematic evaluation of different processor communicating schedules.Comment: 34 pages, 9 figure