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Cloud computing recently developed into a viable alternative to on-premises systems for executing high-performance computing (HPC) applications. With the emergence of new vendors and hardware options, there is now a growing need to…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-12-14 Mohammad Mohammadi , Timur Bazhirov

Large batch jobs such as Deep Learning, HPC and Spark require far more computational resources and higher cost than conventional online service. Like the processing of other time series data, these jobs possess a variety of characteristics…

Machine Learning · Computer Science 2020-10-13 Peng Gao

The evolving landscape of scientific computing requires seamless transitions from experimental to production HPC environments for interactive workflows. This paper presents a structured transition pathway developed at OLCF that bridges the…

High intensive computation applications can usually take days to months to finish an execution. During this time, it is common to have variations of the available resources when considering that such hardware is usually shared among a…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-01-27 Kiran Mantripragada , Alecio Binotto , Leonardo P. Tizzei

Molecular dynamics (MD) simulations are widely used to study large-scale molecular systems. HPC systems are ideal platforms to run these studies, however, reaching the necessary simulation timescale to detect rare processes is challenging,…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-22 Tu Mai Anh Do , Loïc Pottier , Rafael Ferreira da Silva , Frédéric Suter , Silvina Caíno-Lores , Michela Taufer , Ewa Deelman

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-14 Sameh Abdulah , Jorge Ejarque , Omar Marzouk , Hatem Ltaief , Ying Sun , Marc G. Genton , Rosa M. Badia , David E. Keyes

Distributed digital infrastructures for computation and analytics are now evolving towards an interconnected ecosystem allowing complex applications to be executed from IoT Edge devices to the HPC Cloud (aka the Computing Continuum, the…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-09-06 Daniel Rosendo , Alexandru Costan , Gabriel Antoniu , Patrick Valduriez

Elasticity is highly desirable for stream processing systems to guarantee low latency against workload dynamics, such as surges in data arrival rate and fluctuations in data distribution. Existing systems achieve elasticity following a…

Databases · Computer Science 2017-11-06 Li Wang , Tom Z. J. Fu , Richard T. B. Ma , Marianne Winslett , Zhenjie Zhang

We describe the development of a scientific cloud computing (SCC) platform that offers high performance computation capability. The platform consists of a scientific virtual machine prototype containing a UNIX operating system and several…

Computational Physics · Physics 2013-12-02 Kevin Jorissen , Fernando D. Vila , John J. Rehr

Massive upgrades to science infrastructure are driving data velocities upwards while stimulating adoption of increasingly data-intensive analytics. While next-generation exascale supercomputers promise strong support for I/O-intensive…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-07-06 Michael Salim , Thomas Uram , J. Taylor Childers , Venkat Vishwanath , Michael E. Papka

Cloud Computing researches involve a tremendous amount of entities such as users, applications, and virtual machines. Due to the limited access and often variable availability of such resources, researchers have their prototypes tested…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-01-18 Pradeeban Kathiravelu

The increasing availability of cloud computing services for science has changed the way scientific code can be developed, deployed, and run. Many modern scientific workflows are capable of running on cloud computing resources. Consequently,…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-11 Peter Vaillancourt , Bennett Wineholt , Brandon Barker , Plato Deliyannis , Jackie Zheng , Akshay Suresh , Adam Brazier , Rich Knepper , Rich Wolski

Apart from forming the backbone of compiler optimization, static dataflow analysis has been widely applied in a vast variety of applications, such as bug detection, privacy analysis, program comprehension, etc. Despite its importance,…

Programming Languages · Computer Science 2024-12-18 Zewen Sun , Yujin Zhang , Duanchen Xu , Yiyu Zhang , Yun Qi , Yueyang Wang , Yi Li , Zhaokang Wang , Yue Li , Xuandong Li , Zhiqiang Zuo , Qingda Lu , Wenwen Peng , Shengjian Guo

Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-03-03 Jana Pazúriková

Open material databases storing hundreds of thousands of material structures and their corresponding properties have become the cornerstone of modern computational materials science. Yet, the raw outputs of the simulations, such as the…

To reproduce eScience, several challenges need to be solved: scientific workflows need to be automated; the involved software versions need to be provided in an unambiguous way; input data needs to be easily accessible; High-Performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-30 Kessy Abarenkov , Anne Fouilloux , Helmut Neukirchen , Abdulrahman Azab

We investigate the feasibility of high performance scientific computation using cloud computers as an alternative to traditional computational tools. The availability of these large, virtualized pools of compute resources raises the…

Materials Science · Physics 2009-01-05 J. J. Rehr , J. P. Gardner , M. Prange , L. Svec , F. Vila

Euler-Lagrange (EL) simulations provide a direct and robust framework for modeling disperse multiphase flows. However, they are computationally expensive. While various approaches have attempted to leverage heterogeneous computing…

Computational Engineering, Finance, and Science · Computer Science 2026-03-31 Silvio Schmalfuß , Sergey Lesnik , Henrik Rusche , Dennis Niedermeier

In a new effort to make our research transparent and reproducible by others, we developed a workflow to run and share computational studies on the public cloud Microsoft Azure. It uses Docker containers to create an image of the application…

Computational Engineering, Finance, and Science · Computer Science 2020-07-24 Olivier Mesnard , Lorena A. Barba

Many socio-economical critical domains (such as sustainability, public health, and disasters) are characterized by highly complex and dynamic systems, requiring data and model-driven simulations to support decision-making. Due to a large…

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