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Many-Fermion Dynamics-nuclear, or MFDn, is a configuration interaction (CI) code for nuclear structure calculations. It is a platform-independent Fortran 90 code using a hybrid MPI+X programming model. For CPU platforms the application has…
In this paper we would like to share our experience for transforming a parallel code for a Computational Fluid Dynamics (CFD) problem into a parallel version for the RedisDG workflow engine. This system is able to capture heterogeneous and…
For reasons of both performance and energy efficiency, high-performance computing (HPC) hardware is becoming increasingly heterogeneous. The OpenCL framework supports portable programming across a wide range of computing devices and is…
We present a rack-scale compute architecture for ML using multi-accelerator servers connected via chip-to-chip silicon photonic components. Our architecture achieves (1) multi-tenanted resource slicing without fragmentation, (2) 74% faster…
Dedicated tensor accelerators demonstrate the importance of linear algebra in modern applications. Such accelerators have the potential for impressive performance gains, but require programmers to rewrite code using vendor APIs - a barrier…
In drug discovery, molecular docking is the task in charge of estimating the position of a molecule when interacting with the docking site. This task is usually used to perform screening of a large library of molecules, in the early phase…
Heterogeneity has become a mainstream architecture design choice for building High Performance Computing systems. However, heterogeneity poses significant challenges for achieving performance portability of execution. Adapting a program to…
We propose a CPU-GPU heterogeneous computing method for solving time-evolution partial differential equation problems many times with guaranteed accuracy, in short time-to-solution and low energy-to-solution. On a single-GH200 node, the…
The hardware diversity in leadership-class computing facilities, alongside the immense performance boosts from today's GPUs when computing in lower precision, incentivizes scientific HPC workflows to adopt mixed-precision algorithms and…
We propose a generic algorithmic building block to accelerate training of machine learning models on heterogeneous compute systems. Our scheme allows to efficiently employ compute accelerators such as GPUs and FPGAs for the training of…
We present an approach to solving problems in micromechanics that is amenable to massively parallel calculations through the use of graphical processing units and other accelerators. The problems lead to nonlinear differential equations…
Heterogeneous parallel systems are widely spread nowadays. Despite their availability, their usage and adoption are still limited, and even more rarely they are used to full power. Indeed, compelling new technologies are constantly…
Markov Chain Monte Carlo (MCMC) algorithms are essential tools in computational statistics for sampling from unnormalised probability distributions, but can be fragile when targeting high-dimensional, multimodal, or complex target…
We present a thorough analysis of the use of modern heterogeneous systems interconnected by various cachecoherent links, including CXL, NVLink-C2C, and Infinity Fabric. We studied a wide range of server systems that combined CPUs from…
Heterogeneous computing is emerging as a mandatory requirement for power-efficient system design. With this aim, modern heterogeneous platforms like Zynq All-Programmable SoC, that integrates ARM-based SMP and programmable logic, have been…
In addressing the Department of Energy's April, 2022 announcement of a Bold Decadal Vision for delivering a Fusion Pilot Plant by 2035, associated software tools need to be developed for the integration of real world engineering and supply…
The electrical and electronic engineering has used parallel programming to solve its large scale complex problems for performance reasons. However, as parallel programming requires a non-trivial distribution of tasks and data, developers…
We present AsterX, a novel open-source, modular, GPU-accelerated, fully general relativistic magnetohydrodynamic (GRMHD) code designed for dynamic spacetimes in 3D Cartesian coordinates, and tailored for exascale computing. We utilize…
Convolutional neural networks (CNNs) have been widely employed in many applications such as image classification, video analysis and speech recognition. Being compute-intensive, CNN computations are mainly accelerated by GPUs with high…
Matrix-accelerated stencil computation is a hot research topic, yet its application to three-dimensional (3D) high-order stencils and HPC remains underexplored. With the emergence of matrix units on multicore CPUs, we analyze matrix-based…