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The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures, and currently holds the world record for the largest molecular…

Lattice Gauge Theory is an integral part of particle physics that requires high performance computing in the multi-Tflops regime. These requirements are motivated by the rich research program and the physics milestones to be reached by the…

Computational Physics · Physics 2007-05-23 A. Gellrich , D. Pop , P. Wegner , H. Wittig , M. Hasenbusch , K. Jansen

In this work, we present an extension of Gaussian process (GP) models with sophisticated parallelization and GPU acceleration. The parallelization scheme arises naturally from the modular computational structure w.r.t. datapoints in the…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-10-21 Zhenwen Dai , Andreas Damianou , James Hensman , Neil Lawrence

High-rate quantum LDPC (qLDPC) codes reduce memory overhead by densely packing many logical qubits into a single block of physical qubits. Here we extend this concept to high-rate computation by constructing \emph{batched} fault-tolerant…

This paper presents a limited-area atmospheric simulation of a tropical cyclone accelerated using GPUs. The OpenACC directive-based programming model is used to port the atmospheric model to the GPU. The GPU implementation of the main…

Computational Physics · Physics 2025-04-14 Soonpil Kang , Francis X. Giraldo , Seth Camp

Large language models (LLMs) require vast amounts of GPU compute to train, but limited availability and high costs of GPUs make homogeneous clusters impractical for many organizations. Instead, assembling heterogeneous clusters by pooling…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-15 Runsheng Benson Guo , Utkarsh Anand , Khuzaima Daudjee , Rathijit Sen

We describe the construction of a high performance parallel computer composed of PC components, as well as the performance test in lattice QCD.

High Energy Physics - Lattice · Physics 2009-11-07 X. Q. Luo , E. Gregory , H. Xi , J. Yang , Y. Wang , Y. Lin , H. Ying

The Simplex tableau has been broadly used and investigated in the industry and academia. With the advent of the big data era, ever larger problems are posed to be solved in ever larger machines whose architecture type did not exist in the…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-05-29 Demetrios Coutinho , Felipe O. Lins e Silva , Daniel Aloise , Samuel , Xavier-de-Souza

While multi-GPU (MGPU) systems are extremely popular for compute-intensive workloads, several inefficiencies in the memory hierarchy and data movement result in a waste of GPU resources and difficulties in programming MGPU systems. First,…

Hardware Architecture · Computer Science 2020-07-09 Saiful A. Mojumder , Yifan Sun , Leila Delshadtehrani , Yenai Ma , Trinayan Baruah , José L. Abellán , John Kim , David Kaeli , Ajay Joshi

For multiscale gas flows, kinetic-continuum hybrid method is usually used to balance the computational accuracy and efficiency. However, the kinetic-continuum coupling is not straightforward since the coupled methods are based on different…

Fluid Dynamics · Physics 2015-05-19 Jianping Meng , Yonghao Zhang , Xiaowen Shan

We employ the Partially Saturated Cells Method (PSM) to model the interaction between the fluid flow and solid moving objects as an extension to the conventional lattice Boltzmann method. We introduce an efficient and accurate method for…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-28 P. Suffa , S. Kemmler , H. Koestler , U. Ruede

Lattice-Boltzmann methods are known for their simplicity, efficiency and ease of parallelization, usually relying on uniform Cartesian meshes with a strong bond between spatial and temporal discretization. This fact complicates the crucial…

Numerical Analysis · Mathematics 2022-10-19 Thomas Bellotti , Loïc Gouarin , Benjamin Graille , Marc Massot

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,…

Instrumentation and Methods for Astrophysics · Physics 2015-06-15 Roberto Capuzzo-Dolcetta , Mario Spera

We introduce a lattice Boltzmann computational scheme capable of modeling thermohydrodynamic flows of monatomic gases. The parallel nature of this approach provides a numerically efficient alternative to traditional methods of computational…

comp-gas · Physics 2009-10-22 F. J. Alexander , S. Chen , J. D. Sterling

Massively-parallel, distributed-memory algorithms for the Lagrangian particle hydrodynamic method [R. Samulyak, X. Wang, H.-C. Chen, Lagrangian particle method for compressible fluid dynamics, J. Comput. Phys., 362 (2018), 1-19] have been…

Computational Physics · Physics 2022-06-27 Shaohua Yuan , Mario Zepeda Aguilar , Nizar Naitlho , Roman Samulyak

High-performance computing has recently seen a surge of interest in heterogeneous systems, with an emphasis on modern Graphics Processing Units (GPUs). These devices offer tremendous potential for performance and efficiency in important…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-07-17 Andreas Klöckner , Nicolas Pinto , Yunsup Lee , Bryan Catanzaro , Paul Ivanov , Ahmed Fasih

Graph clustering has many important applications in computing, but due to growing sizes of graphs, even traditionally fast clustering methods such as spectral partitioning can be computationally expensive for real-world graphs of interest.…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-11 Julian Shun , Farbod Roosta-Khorasani , Kimon Fountoulakis , Michael W. Mahoney

Generation of optimal codes is a well known problem in coding theory. Many computational approaches exist in the literature for finding record breaking codes. However generating codes with long lengths $n$ using serial algorithms is…

Information Theory · Computer Science 2015-07-21 Srajan Paliwal , Saurabh Tiwary , Bhaskar Chaudhury , Manish K. Gupta

We have extended the Falkon lightweight task execution framework to make loosely coupled programming on petascale systems a practical and useful programming model. This work studies and measures the performance factors involved in applying…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-17 Ioan Raicu , Zhao Zhang , Mike Wilde , Ian Foster , Pete Beckman , Kamil Iskra , Ben Clifford

Today's exponentially increasing data volumes and the high cost of storage make compression essential for the Big Data industry. Although research has concentrated on efficient compression, fast decompression is critical for analytics…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-06-03 Evangelia Sitaridi , Rene Mueller , Tim Kaldewey , Guy Lohman , Kenneth Ross