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Classical molecular dynamics (MD) simulations are important tools in life and material sciences since they allow studying chemical and biological processes in detail. However, the inherent scalability problem of particle-particle…
Artificial Intelligence (AI) workloads drive a rapid expansion of high-performance computing (HPC) infrastructures and increase their power and energy demands towards a critical level. AI benchmarks representing state-of-the art workloads…
Power is increasingly becoming a limiting resource in high-performance, GPU-accelerated computing systems. Understanding the range and sources of power variation is essential in setting realistic bounds on rack and system peak power, and…
In this paper, we describe the architecture and performance of the GraCCA system, a Graphic-Card Cluster for Astrophysics simulations. It consists of 16 nodes, with each node equipped with 2 modern graphic cards, the NVIDIA GeForce 8800…
Developing efficient GPU kernels can be difficult because of the complexity of GPU architectures and programming models. Existing performance tools only provide coarse-grained suggestions at the kernel level, if any. In this paper, we…
The rapid development in scientific research provides a need for more compute power, which is partly being solved by GPUs. This paper presents a microarchitectural analysis of the modern NVIDIA Blackwell architecture by studying GPU…
High-performance computing (HPC) systems are essential for scientific discovery and engineering innovation. However, their growing power demands pose significant challenges, particularly as systems scale to the exascale level. Prior uncore…
Accelerated computing is widely used in high-performance computing. Therefore, it is crucial to experiment and discover how to better utilize GPUGPUs latest generations on relevant applications. In this paper, we present results and share…
Efficient Graph processing is challenging because of the irregularity of graph algorithms. Using GPUs to accelerate irregular graph algorithms is even more difficult to be efficient, since GPU's highly structured SIMT architecture is not a…
Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…
Efficient power management in cloud data centers is essential for reducing costs, enhancing performance, and minimizing environmental impact. GPUs, critical for tasks like machine learning (ML) and GenAI, are major contributors to power…
This paper is focused on improving multi-GPU performance of a research CFD code on structured grids. MPI and OpenACC directives are used to scale the code up to 16 GPUs. This paper shows that using 16 P100 GPUs and 16 V100 GPUs can be…
Open-source simulation tools play a crucial role for neuromorphic application engineers and hardware architects to investigate performance bottlenecks and explore design optimizations before committing to silicon. Reconfigurable…
Growing deployment of power and energy efficient throughput accelerators (GPU) in data centers demands enhancement of power-performance co-optimization capabilities of GPUs. Realization of exascale computing using accelerators requires…
We assess costs and efficiency of state-of-the-art high performance cloud computing compared to a traditional on-premises compute cluster. Our use case are atomistic simulations carried out with the GROMACS molecular dynamics (MD) toolkit…
We present a scalable solution method based on an alternating direction method of multipliers and graphics processing units (GPUs) for rapidly computing and tracking a solution of alternating current optimal power flow (ACOPF) problem. Such…
We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of LAMMPS. This new CUDA package for LAMMPS also enables…
Multiphase compressible flows are often characterized by a broad range of space and time scales. Thus entailing large grids and small time steps, simulations of these flows on CPU-based clusters can thus take several wall-clock days.…
This paper investigates the application of a robust CPU-based power modelling methodology that performs an automatic search of explanatory events derived from performance counters to embedded GPUs. A 64-bit Tegra TX1 SoC is configured with…
Compute-in-SRAM architectures offer a promising approach to achieving higher performance and energy efficiency across a range of data-intensive applications. However, prior evaluations have largely relied on simulators or small prototypes,…