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We present a unified programming model for heterogeneous computing systems. Such systems integrate multiple computing accelerators and memory units to deliver higher performance than CPU-centric systems. Although heterogeneous systems have…

Hardware heterogeneity is here to stay for high-performance computing. Large-scale systems are currently equipped with multiple GPU accelerators per compute node and are expected to incorporate more specialized hardware. This shift in the…

The first associations to software sustainability might be the existence of a continuous integration (CI) framework; the existence of a testing framework composed of unit tests, integration tests, and end-to-end tests; and also the…

HPC-based applications often have complex workflows with many software dependencies that hinder their portability on contemporary HPC architectures. In addition, these applications often require extraordinary efforts to deploy and execute…

Since the advent of parallel algorithms in the C++17 Standard Template Library (STL), the STL has become a viable framework for creating performance-portable applications. Given multiple existing implementations of the parallel algorithms,…

Sparse Matrix-Matrix multiplication is a key kernel that has applications in several domains such as scientific computing and graph analysis. Several algorithms have been studied in the past for this foundational kernel. In this paper, we…

The cryosphere plays a significant role in Earth's climate system. Therefore, an accurate simulation of sea ice is of great importance to improve climate projections. To enable higher resolution simulations, graphics processing units (GPUs)…

We evaluate the second-generation Intel Xeon Phi coprocessor based on the Intel Many Integrated Core (MIC) architecture, aka the Knights Landing or KNL, for simulating neutrino oscillations in (core-collapse) supernovae. For this purpose we…

Heterogeneous computing is the strategy of deploying multiple types of processing elements within a single workflow, and allowing each to perform the tasks to which is best suited. To fully harness the power of heterogeneity, we want to be…

We present an ultrafast opacity calculator that we name HELIOS-K. It takes a line list as an input, computes the shape of each spectral line and provides an option for grouping an enormous number of lines into a manageable number of bins.…

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…

High-order gas-kinetic scheme (HGKS) has become a workable tool for the direct numerical simulation (DNS) of turbulence. In this paper, to accelerate the computation, HGKS is implemented with the graphical processing unit (GPU) using the…

The non-orthogonal local submatrix method applied to electronic-structure based molecular dynamics simulations is shown to exceed 1.1 EFLOP/s in FP16/FP32 mixed floating-point arithmetic when using 4,400 NVIDIA A100 GPUs of the Perlmutter…

This Article presents two optimized multi-GPU algorithms for Fock matrix construction, building on the work of Ufimtsev et al. and Barca et al. The novel algorithms, opt-UM and opt-Brc, introduce significant enhancements, including improved…

We introduce an extension to the AthenaK code for general-relativistic magnetohydrodynamics (GRMHD) in dynamical spacetimes using a 3+1 conservative Eulerian formulation. Like the fixed-spacetime GRMHD solver, we use standard finite-volume…

We discuss practical methods to ensure near wirespeed performance from clusters with either one or two Intel(R) Omni-Path host fabric interfaces (HFI) per node, and Intel(R) Xeon Phi(TM) 72xx (Knight's Landing) processors, and using the…

We have developed the astrophysical simulation code XFLAT to study neutrino oscillations in supernovae. XFLAT is designed to utilize multiple levels of parallelism through MPI, OpenMP, and SIMD instructions (vectorization). It can run on…

The ExaNeSt and EuroExa H2020 EU-funded projects aim to design and develop an exascale ready computing platform prototype based on low-energy-consumption ARM64 cores and FPGA accelerators. We participate in the application-driven design of…