Two-phase trace-driven simulation (TPTS): a fast multicore processor architecture simulation approach

2010 ◽  
pp. n/a-n/a ◽  
Author(s):  
Hyunjin Lee ◽  
Lei Jin ◽  
Kiyeon Lee ◽  
Socrates Demetriades ◽  
Michael Moeng ◽  
...  
2019 ◽  
Vol 86 (10) ◽  
pp. 566-576
Author(s):  
Daniel Wöckinger ◽  
Wolfgang Amrhein ◽  
Stefan Schuster ◽  
Johann Reisinger

AbstractThis paper introduces a novel simulation approach for the magnetic properties of two-phase randomly ordered compounds. In industry, materials such as ferrous powder mixtures or metallic granulates are very often used as raw materials. Hence, their material characteristics are of utmost interest for material manufacturers in order to guarantee high quality standards. Typically, many parameters such as composition, inclusion shape, and the characteristics of the constituents affect the macroscopic physical behavior of such materials. In particular, the resulting permeability of multi-phase and randomly ordered materials exhibits a strong variation despite constant compounds. For the design and optimization of measurement setups, efficient simulators are necessary to estimate the effective permeability and its fluctuation range of a huge number of arrangements. In addition to the basic concept of the novel simulation method, this article presents some possible evaluations of the simulated results and their dependencies on the properties of the constituents. In the last century, a large number of different mixing formulas have been established in literature, which are summarized and compared to the simulation results. Finally, the simulated magnetic characteristics are evaluated with finite element simulation of a comparable particle arrangement.


2013 ◽  
Vol 133 ◽  
pp. 210-224 ◽  
Author(s):  
Liviu Theodor Ene ◽  
Erik Næsset ◽  
Terje Gobakken ◽  
Timothy G. Gregoire ◽  
Göran Ståhl ◽  
...  

2021 ◽  
Vol 9 ◽  
Author(s):  
Hao Lu ◽  
Zhiqiang Wei ◽  
Cunji Wang ◽  
Jingjing Guo ◽  
Yuandong Zhou ◽  
...  

Ultra-large-scale molecular docking can improve the accuracy of lead compounds in drug discovery. In this study, we developed a molecular docking piece of software, Vina@QNLM, which can use more than 4,80,000 parallel processes to search for potential lead compounds from hundreds of millions of compounds. We proposed a task scheduling mechanism for large-scale parallelism based on Vinardo and Sunway supercomputer architecture. Then, we readopted the core docking algorithm to incorporate the full advantage of the heterogeneous multicore processor architecture in intensive computing. We successfully expanded it to 10, 465, 065 cores (1,61,001 management process elements and 0, 465, 065 computing process elements), with a strong scalability of 55.92%. To the best of our knowledge, this is the first time that 10 million cores are used for molecular docking on Sunway. The introduction of the heterogeneous multicore processor architecture achieved the best speedup, which is 11x more than that of the management process element of Sunway. The performance of Vina@QNLM was comprehensively evaluated using the CASF-2013 and CASF-2016 protein–ligand benchmarks, and the screening power was the highest out of the 27 pieces of software tested in the CASF-2013 benchmark. In some existing applications, we used Vina@QNLM to dock more than 10 million molecules to nine rigid proteins related to SARS-CoV-2 within 8.5 h on 10 million cores. We also developed a platform for the general public to use the software.


Author(s):  
Eleonore Riber ◽  
Mathieu Moreau ◽  
Olivier Simonin ◽  
Be´ne´dicte Cuenot

A Large Eddy Simulation approach for Eulerian-Eulerian dispersed two-phase flow is presented. It is shown that not only the Random Uncorrelated Motion but also Sub-Grid Scales term modeling the unresolved field in the particle mesoscopic momentum transport equation and the particle Random Uncorrelated Energy need to be accounted for. Simulations of a non-homogeneous particle laden turbulent gas flow allow to compare dispersed phase quantities such as number density, time-averaged and rms mesoscopic velocity, fluid-particle correlations with experimental results.


2008 ◽  
Author(s):  
Sangyeun Cho ◽  
Socrates Demetriades ◽  
Shayne Evans ◽  
Lei Jin ◽  
Hyunjin Lee ◽  
...  

Author(s):  
Nicola Simon ◽  
Hannes Erdle ◽  
Stefan Walzer ◽  
Jens Gibmeier ◽  
Thomas Böhlke ◽  
...  

AbstractResidual stress development in deep drawing processes is investigated based on cylindrical cups made of duplex stainless steel sheet. Using a two-scale approach combining finite element modelling with a mean field homogenization scheme the macro residual stresses as well as the phase-specific micro residual stresses regarding the phases ferrite and austenite are calculated for steel X2CrNiN23‑4 for various drawing depths. The simulation approach allows for the numerical efficient prediction of the macro and phase-specific micro residual stress in every integration point of the entire component. The simulation results are validated by means of X‑ray diffraction residual stress analysis applied to a deep-drawn cup manufactured using corresponding process parameters. The results clearly indicate that the fast simulation approach is well suited for the numerical prediction of residual stresses induced by deep drawing for the two-phase duplex steel; the numerical results are in good agreement with the experimental data. Regarding the investigated process, a significant influence of the drawing depth, in particular on the evolution of the residual stress distribution in drawing direction, is observed. Considering the appropriate phase-specific strain hardening, the two-scale approach is also well suited for the prediction of phase specific residual stresses on the component level.


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