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Containers improve the efficiency in application deployment and thus have been widely utilised on Cloud and lately in High Performance Computing (HPC) environments. Containers encapsulate complex programs with their dependencies in isolated…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-20 Naweiluo Zhou , Huan Zhou , Dennis Hoppe

Molecular docking is a key computational tool utilized to predict the binding conformations of small molecules to protein targets, which is fundamental in the design of novel drugs. Despite recent advancements in geometric deep…

Biomolecules · Quantitative Biology 2023-12-01 Jiaxian Yan , Zaixi Zhang , Kai Zhang , Qi Liu

Complex flow simulations are conventionally performed on HPC clusters. However, the limited availability of HPC resources and steep learning curve of executing on traditional supercomputer infrastructure has drawn attention towards…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-06-13 Kumar Saurabh , Santi Adavani , Kendrick Tan , Masado Ishii , Boshun Gao , Adarsh Krishnamurthy , Hari Sundar , Baskar Ganapathysubramanian

Facing a vast amount of connections, huge performance demands, and the need for reliable connectivity, the sixth generation of communication networks (6G) is envisioned to implement disruptive technologies that jointly spur connectivity,…

Information Theory · Computer Science 2023-10-26 Robert-Jeron Reifert , Hayssam Dahrouj , Basem Shihada , Aydin Sezgin , Tareq Y. Al-Naffouri , Mohamed-Slim Alouini

In this paper, we draw the specifications of a novel benchmark for comparing parallel processing frameworks in the context of big data applications hosted in the cloud. We aim at filling several gaps in already existing cloud data…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-12-24 Jaume Ferrarons , Mulu Adhana , Carlos Colmenares , Sandra Pietrowska , Fadila Bentayeb , Jérôme Darmont

We describe a new 512-CPU Beowulf cluster with Teraflop performance dedicated to problems in computational astrophysics. The cluster incorporates a cubic network topology based on inexpensive commodity 24-port gigabit switches and point to…

Astrophysics · Physics 2007-05-23 John Dubinski , Robin Humble , Ue-Li Pen , Chris Loken , Peter Martin

Multi-party computation (MPC) is a branch of cryptography where multiple non-colluding parties execute a well designed protocol to securely compute a function. With the non-colluding party assumption, MPC has a cryptographic guarantee that…

Cryptography and Security · Computer Science 2021-11-01 Wittawat Jitkrittum , Michal Lukasik , Ananda Theertha Suresh , Felix Yu , Gang Wang

In April 2023, HEPScore23, the new benchmark based on HEP specific applications, was adopted by WLCG, replacing HEP-SPEC06. As part of the transition to the new benchmark, the CPU corepower published by the sites needed to be compared with…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-10 Natalia Szczepanek , Domenico Giordano , Ivan Glushkov , Gonzalo Menendez Borge , Alessandro Di Girolamo , Alexander Lory , Ilija Vukotic

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-07 Zhong Zheng , Seyfal Sultanov , Michael E. Papka , Zhiling Lan

The prospects of quantum computing have driven efforts to realize fully functional quantum processing units (QPUs). Recent success in developing proof-of-principle QPUs has prompted the question of how to integrate these emerging processors…

Emerging Technologies · Computer Science 2015-12-10 Keith A. Britt , Travis S. Humble

Several companies and research institutes are moving their CPU-intensive applications to hybrid High Performance Computing (HPC) cloud environments. Such a shift depends on the creation of software systems that help users decide where a job…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-08-30 Renato L. F. Cunha , Eduardo R. Rodrigues , Leonardo P. Tizzei , Marco A. S. Netto

In recent years, data-intensive applications have been increasingly deployed on cloud systems. Such applications utilize significant compute, memory, and I/O resources to process large volumes of data. Optimizing the performance and…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-15 Qing Wang , Snigdhaswin Kar , Prabodh Mishra , Caleb Linduff , Ryan Izard , Khayam Anjam , Geddings Barrineau , Junaid Zulfiqar , Kuang-Ching Wang

For large-scale scientific simulations, it is expensive to store raw simulation results to perform post-analysis. To minimize expensive I/O, "in-situ" analysis is often used, where analysis applications are tightly coupled with scientific…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-01 Feng Li , Dali Wang , Feng Yan , Fengguang Song

COVID-19 global pandemic is an unprecedented health crisis. Since the outbreak, many researchers around the world have produced an extensive collection of literatures. For the research community and the general public to digest, it is…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-17 Jie Zhao , Maria A. Rodriguez , Rajkumar Buyya

High-performance computing, together with a neural network model trained from data generated with first-principles methods, has greatly boosted applications of \textit{ab initio} molecular dynamics in terms of spatial and temporal scales on…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-01-06 Zhuoqiang Guo , Denghui Lu , Yujin Yan , Siyu Hu , Rongrong Liu , Guangming Tan , Ninghui Sun , Wanrun Jiang , Lijun Liu , Yixiao Chen , Linfeng Zhang , Mohan Chen , Han Wang , Weile Jia

In the fusion community, the use of high performance computing (HPC) has been mostly dominated by heavy-duty plasma simulations, such as those based on particle-in-cell and gyrokinetic codes. However, there has been a growing interest in…

Computational Physics · Physics 2021-06-14 Diogo R. Ferreira

General Purpose Graphics Processing Unit (GPGPU) computing plays a transformative role in deep learning and machine learning by leveraging the computational advantages of parallel processing. Through the power of Compute Unified Device…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-20 Ming Li , Ziqian Bi , Tianyang Wang , Yizhu Wen , Qian Niu , Xinyuan Song , Zekun Jiang , Junyu Liu , Benji Peng , Sen Zhang , Xuanhe Pan , Jiawei Xu , Jinlang Wang , Keyu Chen , Caitlyn Heqi Yin , Pohsun Feng , Ming Liu

High Performance Computing (HPC), Artificial Intelligence (AI)/Machine Learning (ML), and Quantum Computing (QC) and communications offer immense opportunities for innovation and impact on society. Researchers in these areas depend on…

Computers and Society · Computer Science 2020-12-18 William Gropp , Sujata Banerjee , Ian Foster

One of application that needs high performance computing resources is molecular d ynamic. There is some software available that perform molecular dynamic, one of these is a well known GROMACS. Our previous experiment simulating molecular…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-10-17 Heru Suhartanto , Arry Yanuar , Ari Wibisono

The ATLAS experiment at CERN relies on a worldwide distributed computing Grid infrastructure to support its physics program at the Large Hadron Collider. ATLAS has integrated cloud computing resources to complement its Grid infrastructure…