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We introduce cilantro, an open-source C++ library for geometric and general-purpose point cloud data processing. The library provides functionality that covers low-level point cloud operations, spatial reasoning, various methods for point…
Programmability, performance portability, and resource efficiency have emerged as critical challenges in harnessing complex and diverse architectures today to obtain high performance and energy efficiency. While there is abundant research,…
Almost all applications stop scaling at some point; those that don't are seldom performant when considering time to solution on anything but aspirational/unicorn resources. Recognizing these tradeoffs as well as greater user functionality…
Software quality is considered as one of the most important challenges in software engineering. It has many dimensions which differ from users' point of view that depend on their requirements. Therefore, those dimensions lead to difficulty…
To address the challenge of performance portability, and facilitate the implementation of electronic structure solvers, we developed the Basic Matrix Library (BML) and Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure…
We present DINGO (Data INtegration for Grants Ontology), an ontology that provides a machine readable extensible framework to model data for semantically-enabled applications relative to projects, funding, actors, and, notably, funding…
Over recent years heterogeneous systems have become more prevalent across HPC systems, with over 100 supercomputers in the TOP500 incorporating GPUs or other accelerators. These hardware platforms have different performance characteristics…
Current climate change has posed a grand challenge in the field of numerical modeling due to its complex, multiscale dynamics. In hydrological modeling, the increasing demand for high-resolution, real-time simulations has led to the…
Today's world of scientific software for High Energy Physics (HEP) is powered by x86 code, while the future will be much more reliant on accelerators like GPUs and FPGAs. The portable parallelization strategies (PPS) project of the High…
We present Qibo, a new open-source software for fast evaluation of quantum circuits and adiabatic evolution which takes full advantage of hardware accelerators. The growing interest in quantum computing and the recent developments of…
As an important goal of high-performance computing, the concept of performance portability has been around for many years. As the failure of Moore's Law, it is no longer feasible to improve computer performance by simply increasing the…
Because of the limits input/output systems currently impose on high-performance computing systems, a new generation of workflows that include online data reduction and analysis is emerging. Diagnosing their performance requires…
Reproducibility and comparability of empirical results are at the core tenet of the scientific method in any scientific field. To ease reproducibility of empirical studies, several benchmarks in software engineering research, such as…
GPUs have become the dominant source of computing power for high performance computing and are increasingly being used across the High Energy Physics computing landscape for a wide variety of tasks. Though NVIDIA is currently the main…
The high-performance computing (HPC) landscape is undergoing rapid transformation, with an increasing emphasis on energy-efficient and heterogeneous computing environments. This comprehensive study extends our previous research on SYCL's…
Automated debugging, long pursued in a variety of fields from software engineering to cybersecurity, requires a framework that offers the building blocks for a programmable debugging workflow. However, existing debuggers are primarily…
Computer architecture simulation is essential for evaluating new designs without the need for costly tapeout. The community has developed dozens of valuable simulators that have enabled significant architectural advances. However, using and…
Hand-optimizing linear algebra kernels for different GPU devices and applications is complex and labor-intensive. Instead, many developers use automatic performance tuning (autotuning) to achieve high performance on a variety of devices.…
We present Porthos, the first tool that discovers porting bugs in performance-critical code. Porthos takes as input a program and the memory models of the source architecture for which the program has been developed and the target model to…
High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) has provided a large performance boost for molecular docking…