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Finite element analysis of solid mechanics is a foundational tool of modern engineering, with low-order finite element methods and assembled sparse matrices representing the industry standard for implicit analysis. We use performance models and numerical experiments to demonstrate that high-order methods greatly reduce the costs to reach engineering tolerances while enabling effective use of GPUs; these data structures also offer up to 2x benefit for linear elements. We demonstrate the reliability, efficiency, and scalability of matrix-free $p$-multigrid methods with algebraic multigrid coarse solvers through large deformation hyperelastic simulations of multiscale structures. We investigate accuracy, cost, and execution time on multi-node CPU and GPU systems for moderate to large models (millions to billions of degrees of freedom) using AMD MI250X (OLCF Crusher), NVIDIA A100 (NERSC Perlmutter), and V100 (LLNL Lassen and OLCF Summit), resulting in order of magnitude efficiency improvements over a broad range of model properties and scales. We discuss efficient matrix-free representation of Jacobians and demonstrate how automatic differentiation enables rapid development of nonlinear material models without impacting debuggability and workflows targeting GPUs. The methods are broadly applicable and amenable to common workflows, presented here via open source libraries that encapsulate all GPU-specific aspects and are accessible to both new and legacy code, allowing application code to be GPU-oblivious without compromising end-to-end performance on GPUs.

This manuscript presents an efficient solver for the linear system that arises from the Hierarchical Poincar\'e-Steklov (HPS) discretization of three dimensional variable coefficient Helmholtz problems. Previous work on the HPS method has tied it with a direct solver. This work is the first efficient iterative solver for the linear system that results from the HPS discretization. The solution technique utilizes GMRES coupled with a locally homogenized block-Jacobi preconditioner. The local nature of the discretization and preconditioner naturally yield the matrix-free application of the linear system. Numerical results illustrate the performance of the solution technique. This includes an experiment where a problem approximately 100 wavelengths in each direction that requires more than a billion unknowns to achieve approximately 4 digits of accuracy takes less than 20 minutes to solve.

In this paper we describe the research and development activities in the Center for Efficient Exascale Discretization within the US Exascale Computing Project, targeting state-of-the-art high-order finite-element algorithms for high-order applications on GPU-accelerated platforms. We discuss the GPU developments in several components of the CEED software stack, including the libCEED, MAGMA, MFEM, libParanumal, and Nek projects. We report performance and capability improvements in several CEED-enabled applications on both NVIDIA and AMD GPU systems.

Efficient exploitation of exascale architectures requires rethinking of the numerical algorithms used in many large-scale applications. These architectures favor algorithms that expose ultra fine-grain parallelism and maximize the ratio of floating point operations to energy intensive data movement. One of the few viable approaches to achieve high efficiency in the area of PDE discretizations on unstructured grids is to use matrix-free/partially-assembled high-order finite element methods, since these methods can increase the accuracy and/or lower the computational time due to reduced data motion. In this paper we provide an overview of the research and development activities in the Center for Efficient Exascale Discretizations (CEED), a co-design center in the Exascale Computing Project that is focused on the development of next-generation discretization software and algorithms to enable a wide range of finite element applications to run efficiently on future hardware. CEED is a research partnership involving more than 30 computational scientists from two US national labs and five universities, including members of the Nek5000, MFEM, MAGMA and PETSc projects. We discuss the CEED co-design activities based on targeted benchmarks, miniapps and discretization libraries and our work on performance optimizations for large-scale GPU architectures. We also provide a broad overview of research and development activities in areas such as unstructured adaptive mesh refinement algorithms, matrix-free linear solvers, high-order data visualization, and list examples of collaborations with several ECP and external applications., Comment: 22 pages, 18 figures

The recently developed Hierarchical Poincar\'e-Steklov (HPS) method is a high-order discretization technique that comes with a direct solver. Results from previous papers demonstrate the method's ability to solve Helmholtz problems to high accuracy without the so-called pollution effect. While the asymptotic scaling of the direct solver's computational cost is the same as the nested dissection method, serial implementations of the solution technique are not practical for large scale numerical simulations. This manuscript presents the first parallel implementation of the HPS method. Specifically, we introduce an approach for a shared memory implementation of the solution technique utilizing parallel linear algebra. This approach is the foundation for future large scale simulations on supercomputers and clusters with large memory nodes. Performance results on a desktop computer (resembling a large memory node) are presented., Comment: 25 pages

This paper presents a high-order method for solving an interface problem for the Poisson equation on embedded meshes through a coupled finite element and integral equation approach. The method is capable of handling homogeneous or inhomogeneous jump conditions without modification and retains high-order convergence close to the embedded interface. We present finite element-integral equation (FE-IE) formulations for interior, exterior, and interface problems. The treatments of the exterior and interface problems are new. The resulting linear systems are solved through an iterative approach exploiting the second-kind nature of the IE operator combined with algebraic multigrid preconditioning for the FE part. Assuming smooth continuations of coefficients and right-hand-side data, we show error analysis supporting high-order accuracy. Numerical evidence further supports our claims of efficiency and high-order accuracy for smooth data.

We introduce a fast mesh-based method for computing N-body interactions that is both scalable and accurate. The method is founded on a particle-particle--particle-mesh P3M approach, which decomposes a potential into rapidly decaying short-range interactions and smooth, mesh-resolvable long-range interactions. However, in contrast to the traditional approach of using Gaussian screen functions to accomplish this decomposition, our method employs specially designed polynomial bases to construct the screened potentials. Because of this form of the screen, the long-range component of the potential is then solved exactly with a finite element method, leading ultimately to a sparse matrix problem that is solved efficiently with standard multigrid methods. Moreover, since this system represents an exact discretization, the optimal resolution properties of the FFT are unnecessary, though the short-range calculation is now more involved than P3M/PME methods. We introduce the method, analyze its key properties, and demonstrate the accuracy of the algorithm., Comment: 20 pages, submitted to SISC