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In recent years, Arm-based processors have arrived on the HPC scene, offering an alternative the existing status quo, which was largely dominated by x86 processors. In this paper, we evaluate the Arm ecosystem, both the hardware offering…
This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…
This article describes algorithms for the hybrid parallelization and SIMD vectorization of molecular dynamics simulations with short-range forces. The parallelization method combines domain decomposition with a thread-based parallelization…
Atomic operations (atomics) such as Compare-and-Swap (CAS) or Fetch-and-Add (FAA) are ubiquitous in parallel programming. Yet, performance tradeoffs between these operations and various characteristics of such systems, such as the structure…
Current AMR simulations require algorithms that are highly parallelized and manage memory efficiently. As compute engines grow larger, AMR simulations will require algorithms that achieve new levels of efficient parallelization and memory…
Developing parallel algorithms efficiently requires careful management of concurrency across diverse hardware architectures. C++ executors provide a standardized interface that simplifies the development process, allowing developers to…
The HPC community shows a keen interest in creating diversity in the CPU ecosystem. The advent of Arm-based processors provides an alternative to the existing HPC ecosystem, which is primarily dominated by x86 processors. In this paper, we…
Modern HPC systems are increasingly relying on greater core counts and wider vector registers. Thus, applications need to be adapted to fully utilize these hardware capabilities. One class of applications that can benefit from this increase…
Current Adaptive Mesh Refinement (AMR) simulations require algorithms that are highly parallelized and manage memory efficiently. As compute engines grow larger, AMR simulations will require algorithms that achieve new levels of efficient…
Parallel algorithms designed for simulation and performance evaluation of single-server tandem queueing systems with both infinite and finite buffers are presented. The algorithms exploit a simple computational procedure based on recursive…
Reactive molecular dynamics simulations are computationally demanding. Reaching spatial and temporal scales where interesting scientific phenomena can be observed requires efficient and scalable implementations on modern hardware. In this…
We report the results of intensive numerical calculations for four atomic H2+H2 energy transfer collision. A parallel computing technique based on LAM/MPI functions is used. In this algorithm, the data is distributed to the processors…
Agent-based modeling (ABM) is a bottom-up modeling approach, where each entity of the system being modeled is uniquely represented as an independent decision-making agent. Large scale emergent behavior in ABMs is population sensitive. As…
This paper describes how we successfully used the HPX programming model to port the DCA++ application on multiple architectures that include POWER9, x86, ARM v8, and NVIDIA GPUs. We describe the lessons we can learn from this experience as…
We propose a new asynchronous parallel block-descent algorithmic framework for the minimization of the sum of a smooth nonconvex function and a nonsmooth convex one, subject to both convex and nonconvex constraints. The proposed framework…
Measurements of absolute runtime are useful as a summary of performance when studying parallel visualization and analysis methods on computational platforms of increasing concurrency and complexity. We can obtain even more insights by…
Parallel computing is a standard approach to achieving high-performance computing (HPC). Three commonly used methods to implement parallel computing include: 1) applying multithreading technology on single-core or multi-core CPUs; 2)…
In this paper, we analyze the performance and energy consumption of an Arm-based high-performance computing (HPC) system developed within the European project Mont-Blanc 3. This system, called Dibona, has been integrated by ATOS/Bull, and…
Quantum computing enables parallelism through superposition and entanglement and offers advantages over classical computing architectures. However, due to the limitations of current quantum hardware in the noisy intermediate-scale quantum…
Evaluating how well a whole system or set of subsystems performs is one of the primary objectives of performance testing. We can tell via performance assessment if the architecture implementation meets the design objectives. Performance…