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Restricted solid on solid surface growth models can be mapped onto binary lattice gases. We show that efficient simulation algorithms can be realized on GPUs either by CUDA or by OpenCL programming. We consider a deposition/evaporation…
I present HPRMAT, a high-performance solver library for the linear systems arising in R-matrix coupled-channel scattering calculations in nuclear physics. Designed as a drop-in replacement for the linear algebra routines in existing…
A high fidelity flow simulation for complex geometries for high Reynolds number ($Re$) flow is still very challenging, which requires more powerful computational capability of HPC system. However, the development of HPC with traditional CPU…
In this paper we present a new methodology for data accesses when solving batches of Tridiagonal and Pentadiagonal matrices that all share the same LHS matrix. By only storing one copy of this matrix there is a significant reduction in…
In this paper, we present a GPU-accelerated direct-sum boundary integral method to solve the linear Poisson-Boltzmann (PB) equation. In our method, a well-posed boundary integral formulation is used to ensure the fast convergence of Krylov…
Graphics Processing Units (GPUs) with high computational capabilities used as modern parallel platforms to deal with complex computational problems. We use this platform to solve large-scale linear programing problems by revised simplex…
We consider the task of computing solutions of linear systems that only differ by a shift with the identity matrix as well as linear systems with several different right hand sides. In the past Krylov subspace methods have been developed…
Many important real-world applications, such as System Identification with Gaussian Processes, involve solving linear systems with symmetric positive-definite matrices. The iterative CG method and direct solvers based on the Cholesky…
Since being analyzed by Rokhlin, Szlam, and Tygert and popularized by Halko, Martinsson, and Tropp, randomized Simultaneous Power Iteration has become the method of choice for approximate singular value decomposition. It is more accurate…
Matrices with the displacement structures of circulant, Toeplitz, and Hankel types as well as matrices with structures generalizing these types are omnipresent in computations of sciences and engineering. In this paper, we present efficient…
We present a GPU implementation of vertex-patch smoothers for higher order finite element methods in two and three dimensions. Analysis shows that they are not memory bound with respect to GPU DRAM, but with respect to on-chip scratchpad…
We describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction calculations on high performance parallel computers. We show the benefit of using a preconditioned block…
The Trotter-Suzuki approximation leads to an efficient algorithm for solving the time-dependent Schr\"odinger equation. Using existing highly optimized CPU and GPU kernels, we developed a distributed version of the algorithm that runs…
Efficiently solving large-scale sparse linear systems poses a significant challenge in computational science, especially in fields such as physics, engineering, machine learning, and finance. Traditional classical algorithms face…
In this work, we design and implement VQ-LLM, an efficient fused Vector Quantization (VQ) kernel generation framework. We first introduce a software abstraction called codebook cache to optimize codebook access efficiency and support the…
We present a GPU-accelerated version of a high-order discontinuous Galerkin discretization of the unsteady incompressible Navier-Stokes equations. The equations are discretized in time using a semi-implicit scheme with explicit treatment of…
In this era of diverse and heterogeneous computer architectures, the programmability issues, such as productivity and portable efficiency, are crucial to software development and algorithm design. One way to approach the problem is to step…
We revisit the implementation of iterative solvers on discrete graphics processing units and demonstrate the benefit of implementations using extensive kernel fusion for pipelined formulations over conventional implementations of classical…
Multigrid solvers are the standard in modern scientific computing simulations. Domain Decomposition Aggregation-Based Algebraic Multigrid, also known as the DD-$\alpha$AMG solver, is a successful realization of an algebraic multigrid solver…
Computational fluid dynamic simulations often produce large clusters of finite elements with non-trivial, non-convex boundaries and uneven distributions among compute nodes, posing challenges to compositing during interactive volume…