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This report highlights our work on improving GPU parallelization by supporting compute nodes with multiple GPUs. However, since the default support for multi-GPUs in OpenACC is limited[6], the current implementation allows each MPI process…
Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized…
Differentiable model predictive control (MPC) offers a powerful framework for combining learning and control. However, its adoption has been limited by the inherently sequential nature of traditional optimization algorithms, which are…
A real-world example of adding OpenACC to a legacy MPI FORTRAN Preconditioned Conjugate Gradient code is described, and timing results for multi-node multi-GPU runs are shown. The code is used to obtain three-dimensional spherical solutions…
We present the implementation and performance of a class of directionally unsplit Riemann-solver-based hydrodynamic schemes on Graphic Processing Units (GPU). These schemes, including the MUSCL-Hancock method, a variant of the MUSCL-Hancock…
Growing heterogeneity and configurability in HPC architectures has made auto-tuning applications and runtime parameters on these systems very complex. Users are presented with a multitude of options to configure parameters. In addition to…
We use OpenMP to target hardware accelerators (GPUs) on Summit, a newly deployed supercomputer at the Oak Ridge Leadership Computing Facility (OLCF), demonstrating simplified access to GPU devices for users of our astrophysics code GenASiS…
The Particle-In-Cell (PIC) method is a computational technique widely used in plasma physics to model plasmas at the kinetic level. In this work, we present our effort to prepare the semi-implicit energy-conserving PIC code ECsim for…
Solving discretized versions of the Dirac equation represents a large share of execution time in lattice Quantum Chromodynamics (QCD) simulations. Many high-performance computing (HPC) clusters use graphics processing units (GPUs) to offer…
GPU-based HPC clusters are attracting more scientific application developers due to their extensive parallelism and energy efficiency. In order to achieve portability among a variety of multi/many core architectures, a popular choice for an…
High fidelity scientific simulations modeling physical phenomena typically require solving large linear systems of equations which result from discretization of a partial differential equation (PDE) by some numerical method. This step often…
This paper presents a methodology for simultaneous heterogeneous computing, named ENEAC, where a quad core ARM Cortex-A53 CPU works in tandem with a preprogrammed on-board FPGA accelerator. A heterogeneous scheduler distributes the tasks…
GPUs and other accelerators are increasingly used for scientific computing. In the future, we want to add GPU support to parallel adaptive mesh refinement (AMR) codes written in Fortran. To understand which changes are necessary to obtain…
GPU accelerators have had a notable impact on high-performance computing across many disciplines. They provide high performance with low cost/power, and therefore have become a primary compute resource on many of the largest supercomputers.…
As users and developers, we are witnessing the opening of a new computing scenario: the introduction of hybrid processors into a single die, such as an accelerated processing unit (APU) processor, and the plug-and-play of additional…
Hybrid computational architectures based on the joint power of Central Processing Units and Graphic Processing Units (GPUs) are becoming popular and powerful hardware tools for a wide range of simulations in biology, chemistry, engineering,…
Large-scale eigenvalue computations on sparse matrices are a key component of graph analytics techniques based on spectral methods. In such applications, an exhaustive computation of all eigenvalues and eigenvectors is impractical and…
We demonstrate a high-performance vendor-agnostic method for massively parallel solving of ensembles of ordinary differential equations (ODEs) and stochastic differential equations (SDEs) on GPUs. The method is integrated with a widely used…
In this paper, we demonstrate how GPU-accelerated BEM routines can be used in a simple black-box fashion to accelerate fast boundary element formulations based on Hierarchical Matrices (H-Matrices) with ACA (Adaptive Cross Approximation).…
Matrix-accelerated stencil computation is a hot research topic, yet its application to three-dimensional (3D) high-order stencils and HPC remains underexplored. With the emergence of matrix units on multicore CPUs, we analyze matrix-based…