相关论文: A Task Programming Implementation for the Particle…
A three-dimensional, parallelized implementation of the electromagnetic relativistic moment implicit particle-in-cell method in Cartesian geometry (Noguchi et. al., 2007) is presented. Particular care was taken to keep the C++11 codebase…
Imprecise computations provide an avenue for scheduling algorithms developed for energy-constrained computing devices by trading off output quality with the utilization of system resources. This work proposes a method for scheduling task…
Real-space refinement of atomic models in macromolecular crystallography or in cryo electron microscopy fits a model to a map obtained experimentally. This requires generating model maps of a limited resolution which moreover may vary from…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
We discuss the computational bottlenecks in molecular dynamics (MD) and describe the challenges in parallelizing the computation intensive tasks. We present a hybrid algorithm using MPI (Message Passing Interface) with OpenMP threads for…
Discrete particle simulations have become the standard in science and industrial applications exploring the properties of particulate systems. Most of such simulations rely on the concept of interacting spherical particles to describe the…
Task-based programming models have proven to be a robust and versatile way to approach development of applications for distributed environments. They provide natural programming patterns with high performance. However, execution on this…
The OpenMP API offers both task-based and data-parallel concepts to scientific computing. While it provides descriptive and prescriptive annotations, it is in many places deliberately unspecific how to implement its annotations. As the…
Complex plasmas are low-temperature plasmas that contain micrometer-size particles in addition to the neutral gas particles and the ions and electrons that make up the plasma. The microparticles interact strongly and display a wealth of…
We have obtained an electromagnetic PIC (EM-PIC) algorithm based on time-space-extended particle in cell model. In this model particles are shaped objects extended over time and space around Lagrangian markers. Sources carried by these…
Currently, multi/many-core CPUs are considered standard in most types of computers including, mobile phones, PCs or supercomputers. However, the parallelization of applications as well as refactoring/design of applications for efficient…
Electromagnetic theory is central to physics. An undergraduate major in physics typically takes a semester or a year of electromagnetic theory as a junior or senior, and a graduate student in physics typically takes an additional semester…
While there exists a significant number of web interactives for introductory physics, students are almost never shown the computer code that generates these interactives even when the physics parts of these programs are relatively simple.…
The Pencil Code is a highly modular physics-oriented simulation code that can be adapted to a wide range of applications. It is primarily designed to solve partial differential equations (PDEs) of compressible hydrodynamics and has lots of…
We present a data-driven reduced-order modeling of the space-charge dynamics for electromagnetic particle-in-cell (EMPIC) plasma simulations based on dynamic mode decomposition (DMD). The dynamics of the charged particles in kinetic plasma…
Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…
Basic principles of particle-in-cell (PIC ) codes with the main application for plasma-based acceleration are discussed. The ab initio full electromagnetic relativistic PIC codes provide the most reliable description of plasmas. Their…
Planning algorithms decompose complex problems into intermediate steps that can be sequentially executed by robots to complete tasks. Recent works have employed Large Language Models (LLMs) for task planning, using natural language to…
Task parallelism as employed by the OpenMP task construct, although ideal for tackling irregular problems or typical producer/consumer schemes, bears some potential for performance bottlenecks if locality of data access is important, which…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…