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Supercomputer for Quest to Unsolved Interdisciplinary Datascience (SQUID) and its Five Challenges
The Cybermedia Center at Osaka University started the operation of a supercomputing system named Supercomputer for Quest to Unsolved...
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Supercomputing, Docking and Quantum Mechanics in Quest for Inhibitors of Papain-like Protease of SARS-CoV-2
AbstractLomonosov-2 supercomputer is used to search for new organic compounds that can suppress the replication of the SARS-CoV-2 coronavirus. The...
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Facilitating the Process of Performance Analysis of HPC Applications
AbstractPerformance analysis of supercomputing applications is an essential task that should be performed by any HPC user, since optimizing job...
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Influence of Job Runtime Prediction on Scheduling Quality
AbstractOne of the common problems in multiuser supercomputer systems is inaccurate user walltime request for a job. Usually, this time is...
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Accuracy Comparison of Various Supercomputer Job Management System Models
AbstractSupercomputer job management systems (JMS) are complex software which have a number of parameters and settings. Various simulating methods...
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Workflow-Based Internet Platform for Mass Supercomputing
An experience of designing integrated hardware and software solutions for highperformance computing in solving modern geophysical problems on the...
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An Energy-Efficient Scheduling Algorithm for Shared Facility Supercomputer Centers
AbstractThe evolution of high-performance computing is associated with the growth of energy consumption. Performance of cluster computes (CC) is...
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Solution of 3D contact shape optimization problems with Coulomb friction based on TFETI
The present paper deals with the numerical solution of 3D shape optimization problems in frictional contact mechanics. Mathematical modelling of the...
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Xevolver for Performance Tuning of C Programs
We introduce a C interface for standard C programmers to define their own code transformation rules for performance tuning, mainly assuming loop...
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Supercomputer Search for the New Inhibitors of the Coagulation Factor XIIa
AbstractA virtual structure-oriented screening of candidates for inhibitors of blood coagulation factor XIIa was carried out. This coagulation factor...
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Scalable Hybrid TFETI-DP Methods for Large Boundary Variational Inequalities
Variants of the FETI (finite element tearing and interconnecting) methods introduced by Farhat and Roux [8] belong to the most powerful methods for...
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Scalable discrete algorithms for big data applications
In the past year, the project “Scalable Discrete Algorithms for Big Data Applications” dealt with High-Performance SAT Solving, Malleable Job...
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Towards DNS of Droplet-Jet Collisions of Immiscible Liquids with FS3D
In-air microfluidics became a new method for technical production processes with ultra-high throughput formerly performed in micro channels. Direct...
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Introduction
The book presents in a systematic way a methodology for the development of parallel multi-physics models and its employment in geophysical and...
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Production of defects in two-dimensional materials under ion and electron irradiation: insights from advanced first-principles calculations Annual report on ‘Bundesprojekt’ ACID 44172 (Def-2-Dim)
The main goal of the research project with the extensive use of GCS computational resources was to study the formation of defects in two-dimensional...
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Dynamic molecular dynamics ensembles for multiscale simulation coupling
Molecular dynamics (MD) simulation has become a valuable tool in process engineering. Despite our efforts in software developments for large-scale...
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Numerical Analysis and Optimization NAO-V, Muscat, Oman, January 2020
This book gathers selected, peer-reviewed contributions presented at the Fifth International Conference on Numerical Analysis and Optimization...
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A domain decomposition approach for wave propagation into a layered domain
In this work, a parallel procedure based on the domain decomposition method is presented. The initial system is split into sub-systems so that a...
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Closing the Scale Gap for Resolved-Turbulence Simulations in Meteorology
Geophysical flow is generally characterized by huge Reynolds numbers—which limits our ability to directly represent these systems on a computer. Most...
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Reynolds-BlendedWeights for BDDC in Applications to Incompressible Flows
We investigate the applicability of the Balancing Domain Decomposition by Constraints (BDDC) method to numerical solution of problems of...