A High-Quality Preconditioning Technique for Multi-Length-Scale Symmetric Positive Definite Linear Systems

We study preconditioning techniques used in conjunction with the conjugate gradient method for solving multi-length-scale symmetric positive definite linear systems originating from the quantum Monte Carlo simulation of electron interaction of correlated materials. Existing preconditioning techniques are not designed to be adaptive to varying numerical properties of the multi-length-scale systems. In this paper, we propose a hybrid incomplete Cholesky （HIC） preconditioner and demonstrate its adaptivity to the multi-length-scale systems. In addition, we propose an extension of the compressed sparse column with row access （CSCR） sparse matrix storage format to efficiently accommodate the data access pattem to compute the HIC preconditioner. We show that for moderately correlated materials, the HIC preconditioner achieves the optimal linear scaling of the simulation. The development of a linear-scaling preconditioner for strongly correlated materials remains an open topic.

Sparse Approximations of the Schur Complement for Parallel Algebraic Hybrid Solvers in 3D

In this paper we study the computational performance of variants of an algebraic additive Schwarz preconditioner for the Schur complement for the solution of large sparse linear systems.In earlier works,the local Schur complements were computed exactly using a sparse direct solver.The robustness of the preconditioner comes at the price of this memory and time intensive computation that is the main bottleneck of the approach for tackling huge problems.In this work we investigate the use of sparse approximation of the dense local Schur complements.These approximations are computed using a partial incomplete LU factorization.Such a numerical calculation is the core of the multi-level incomplete factorization such as the one implemented in pARMS. The numerical and computing performance of the new numerical scheme is illustrated on a set of large 3D convection-diffusion problems;preliminary experiments on linear systems arising from structural mechanics are also reported.

A Class of Generalized Approximate Inverse Solvers for Unsymmetric Linear Systems of Irregular Structure Based on Adaptive Algorithmic Modelling for Solving Complex Computational Problems in Three Space Dimensions

A class of general inverse matrix techniques based on adaptive algorithmic modelling methodologies is derived yielding iterative methods for solving unsymmetric linear systems of irregular structure arising in complex computational problems in three space dimensions. The proposed class of approximate inverse is chosen as the basis to yield systems on which classic and preconditioned iterative methods are explicitly applied. Optimized versions of the proposed approximate inverse are presented using special storage (k-sweep) techniques leading to economical forms of the approximate inverses. Application of the adaptive algorithmic methodologies on a characteristic nonlinear boundary value problem is discussed and numerical results are given.

THE RESTRICTIVELY PRECONDITIONED CONJUGATE GRADIENT METHODS ON NORMAL RESIDUAL FOR BLOCK TWO-BY-TWO LINEAR SYSTEMS

The restrictively preconditioned conjugate gradient （RPCG） method is further developed to solve large sparse system of linear equations of a block two-by-two structure. The basic idea of this new approach is that we apply the RPCG method to the normal-residual equation of the block two-by-two linear system and construct each required approximate matrix by making use of the incomplete orthogonal factorization of the involved matrix blocks. Numerical experiments show that the new method, called the restrictively preconditioned conjugate gradient on normal residual （RPCGNR）, is more robust and effective than either the known RPCG method or the standard conjugate gradient on normal residual （CGNR） method when being used for solving the large sparse saddle point problems.