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Complex workflows play a critical role in accelerating scientific discovery. In many scientific domains, efficient workflow management can lead to faster scientific output and broader user groups. Workflows that can leverage resources…

BATSRUS, our state-of-the-art extended magnetohydrodynamic code, is the most used and one of the most resource-consuming models in the Space Weather Modeling Framework. It has always been our objective to improve its efficiency and speed…

This paper presents a porting of {DG-SWEM}, a first-order discontinuous Galerkin solver for storm surge based on the Advanced Circulation Model (ADCIRC), to NVIDIA GPUs. Time-explicit discontinuous Galerkin methods contain a large number of…

One of the key requirements for the Lattice QCD Application Development as part of the US Exascale Computing Project is performance portability across multiple architectures. Using the Grid C++ expression template as a starting point, we…

An increasingly large number of HPC systems rely on heterogeneous architectures combining traditional multi-core CPUs with power efficient accelerators. Designing efficient applications for these systems has been troublesome in the past as…

Massively parallel accelerators such as GPGPUs, manycores and FPGAs represent a powerful and affordable tool for scientists who look to speed up simulations of complex systems. However, porting code to such devices requires a detailed…

We utilize the Open Accelerator (OpenACC) approach for graphics processing unit (GPU) accelerated particle-resolved thermal lattice Boltzmann (LB) simulation. We adopt the momentum-exchange method to calculate fluid-particle interactions to…

GPUs are the heart of the latest generations of supercomputers. We efficiently accelerate a compressible multiphase flow solver via OpenACC on NVIDIA and AMD Instinct GPUs. Optimization is accomplished by specifying the directive clauses…

To accelerate the solution of large eigenvalue problems arising from many-body calculations in nuclear physics on distributed-memory parallel systems equipped with general-purpose Graphic Processing Units (GPUs), we modified a previously…

HPC systems employ a growing variety of compute accelerators with different architectures and from different vendors. Large scientific applications are required to run efficiently across these systems but need to retain a single code-base…

We present the design and scalable implementation of an exascale climate emulator for addressing the escalating computational and storage requirements of high-resolution Earth System Model simulations. We utilize the spherical harmonic…

We examine large-eddy-simulation modeling approaches and computational performance of two open-source computational fluid dynamics codes for the simulation of atmospheric boundary layer (ABL) flows that are of direct relevance to wind…

We introduce ClimateMachine, a new open-source atmosphere modeling framework using the Julia language to be performance portable on central processing units (CPUs) and graphics processing units (GPUs). ClimateMachine uses a common framework…

We present a portable platform, called PIC_ENGINE, for accelerating Particle-In-Cell (PIC) codes on heterogeneous many-core architectures such as Graphic Processing Units (GPUs). The aim of this development is efficient simulations on…

The HPEC Graph Challenge is a collection of benchmarks representing complex workloads that test the hardware and software components of HPC systems, which traditional benchmarks, such as LINPACK, do not. The first benchmark, Subgraph…

Clouds, especially low clouds, are crucial for regulating Earth's energy balance and mediating the response of the climate system to changes in greenhouse gas concentrations. Despite their importance for climate, they remain relatively…

We present preliminary results of a GPU porting of all main Gadget3 modules (gravity computation, SPH density computation, SPH hydrodynamic force, and thermal conduction) using OpenACC directives. Here we assign one GPU to each MPI rank and…

CELES is a freely available MATLAB toolbox to simulate light scattering by many spherical particles. Aiming at high computational performance, CELES leverages block-diagonal preconditioning, a lookup-table approach to evaluate costly…

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…

Training large language models requires extensive processing, made possible by many high-performance computing resources. This study compares multi-node and multi-GPU environments for training large language models of electrocardiograms. It…