Related papers: The Shamrock code: I- Smoothed Particle Hydrodynam…
Modern graphics processing units (GPUs) lead to a major increase in the performance of the computation of astrophysical simulations. Owing to the different nature of GPU architecture compared to traditional central processing units (CPUs)…
(Abridged) We have developed a numerical software library for collisionless N-body simulations named "Phantom-GRAPE" which highly accelerates force calculations among particles by use of a new SIMD instruction set extension to the x86…
We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing hybrid functional calculations in generalized Kohn-Sham density functional theory. In particular, we develop a batch variant of the…
In the quest for highest performance in scientific computing, we present a novel framework that relies on high-bandwidth communication between GPUs in a compute cluster. The framework offers linear scaling of performance for explicit…
We present a modern C++17-compatible thread pool implementation, built from scratch with high-performance scientific computing in mind. The thread pool is implemented as a single lightweight and self-contained class, and does not have any…
Euler-Lagrange (EL) simulations provide a direct and robust framework for modeling disperse multiphase flows. However, they are computationally expensive. While various approaches have attempted to leverage heterogeneous computing…
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…
The use of adaptive spatial resolution to simulate flows of practical interest using Smoothed Particle Hydrodynamics (SPH) is of considerable importance. Recently, Muta and Ramachandran [1] have proposed an efficient adaptive SPH method…
We introduce a GPU-accelerated multigrid Gaussian-Plane-Wave density fitting (FFTDF) approach for efficient Fock builds and nuclear gradient evaluations within Kohn-Sham density functional theory, as implemented in the GPU4PySCF module of…
Random quantum circuit sampling serves as a benchmark to demonstrate quantum computational advantage. Recent progress in classical algorithms, especially those based on tensor network methods, has significantly reduced the classical…
To increase performance and efficiency, systems use FPGAs as reconfigurable accelerators. A key challenge in designing these systems is partitioning computation between processors and an FPGA. An appropriate division of labor may be…
The increasing complexity and scale of cosmological N-body simulations, driven by astronomical surveys like Euclid, call for a paradigm shift towards more sustainable and energy-efficient high-performance computing (HPC). The rising energy…
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).…
We have developed a gravity solver based on combining the well developed Particle-Mesh (PM) method and TREE methods. It is designed for and has been implemented on parallel computer architectures. The new code can deal with tens of millions…
Spatially-Coupled (SC)-LDPC codes are known to have outstanding error-correction performance and low decoding latency. Whereas previous works on LDPC and SC-LDPC codes mostly take either an asymptotic or a finite-length design approach, in…
Solving inverse problems and achieving statistical rigour in landscape evolution models requires running many model realizations. Parallel computation is necessary to achieve this in a reasonable time. However, no previous algorithm is…
The Single Instruction, Multiple Thread (SIMT) paradigm of GPU programming does not support the branching nature of a parton shower algorithm by definition. However, modern GPUs are designed to schedule threads with diverging processes…
We present the smoothed-particle hydrodynamics simulation code, Bonsai-SPH, which is a continuation of our previously developed gravity-only hierarchical $N$-body code (called Bonsai). The code is optimized for Graphics Processing Unit…
This paper presents \pandora, a novel parallel algorithm for efficiently constructing dendrograms for single-linkage hierarchical clustering, including \hdbscan. Traditional dendrogram construction methods from a minimum spanning tree…
We present diffSPH, a novel open-source differentiable Smoothed Particle Hydrodynamics (SPH) framework developed entirely in PyTorch with GPU acceleration. diffSPH is designed centrally around differentiation to facilitate optimization and…