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We present FlowPM, a Particle-Mesh (PM) cosmological N-body code implemented in Mesh-TensorFlow for GPU-accelerated, distributed, and differentiable simulations. We implement and validate the accuracy of a novel multi-grid scheme based on…
In ordinary turbulence research it has been a long standing tradition to solve the equations in spectral space giving the best possible accuracy. This is indeed a natural choice for incompressible problems with periodic boundaries, but it…
Many multiscale wave systems exhibit macroscale emergent behaviour, for example, the fluid dynamics of floods and tsunamis. Resolving a large range of spatial scales typically requires a prohibitively high computational cost. The small…
We present the extension of the Tinker-HP package (Lagard\`ere et al., Chem. Sci., 2018,9, 956-972) to the use of Graphics Processing Unit (GPU) cards to accelerate molecular dynamics simulations using polarizable many-body force fields.…
Recent increases in supercomputing power, driven by the multi-core revolution and accelerators such as the IBM Cell processor, graphics processing units (GPUs) and Intel's Many Integrated Core (MIC) technology have enabled kinetic…
Reservoir simulations for petroleum fields and seismic imaging are known as the most demanding workloads for high-performance computing (HPC) in the oil and gas (O&G) industry. The optimization of the simulator numerical parameters plays a…
We compare the performance of two very different parallel gravitational $N$-body codes for astrophysical simulations on large GPU clusters, both pioneer in their own fields as well as in certain mutual scales - NBODY6++ and Bonsai. We carry…
PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. While the computational cost of PLUMED…
The simulation of high-energy physics collision events is a key element for data analysis at present and future particle accelerators. The comparison of simulation predictions to data allows looking for rare deviations that can be due to…
$N$-body simulation serves as a critical method for modeling cosmic evolution and poses a significant challenge in high-performance computing. We present CUBE2, an open-source cosmological $N$-body code emphasizing memory efficiency,…
Direct numerical simulations (DNS) are an indispensable tool for understanding the fundamental physics of turbulent flows. Because of their steep increase in computational cost with Reynolds number ($R_{\lambda}$), well-resolved DNS are…
Tsunami-risk and flood-risk mitigation planning has particular importance for communities like those of the Pacific Northwest, where coastlines are extremely dynamic and a seismically-active subduction zone looms large. The challenge does…
We present an out-of-core hydrodynamic code for high resolution cosmological simulations that require terabytes of memory. Out-of-core computation refers to the technique of using disk space as virtual memory and transferring data in and…
A computational fluid dynamics (CFD) simulation framework for fluid-flow prediction is developed on the Tensor Processing Unit (TPU) platform. The TPU architecture is featured with accelerated dense matrix multiplication, large high…
We present Shamrock, a performance portable framework developed in C++17 with the SYCL programming standard, tailored for numerical astrophysics on Exascale architectures. The core of Shamrock is an accelerated parallel tree with negligible…
Fluid flow simulation is a highly active area with applications in a wide range of engineering problems and interactive systems. Meshless methods like the Moving Particle Semi-implicit (MPS) are a great alternative to deal efficiently with…
We present Sailfish, an open source fluid simulation package implementing the lattice Boltzmann method (LBM) on modern Graphics Processing Units (GPUs) using CUDA/OpenCL. We take a novel approach to GPU code implementation and use run-time…
In this work, we present a high-order finite volume framework for the numerical simulation of shallow water flows. The method is designed to accurately capture complex dynamics inherent in shallow water systems, particularly suited for…
We develop a variational multiscale proper orthogonal decomposition reduced-order model for turbulent incompressible Navier-Stokes equations. The error analysis of the full discretization of the model is presented. All error contributions…
Simulating large-scale microswimmer dynamics in viscous fluid poses significant challenges due to the coupled high spatial and temporal complexity. Conventional high-performance computing (HPC) methods often address these two dimensions in…