Implementation and Benchmarking of Two-Dimensional Vortex Interactions on a Graphics Processing Unit

2014 ◽  
Vol 11 (6) ◽  
pp. 372-385 ◽  
Author(s):  
Christopher C. Chabalko ◽  
Balakumar Balachandran
2020 ◽  
Vol 45 (15) ◽  
pp. 4124
Author(s):  
Pin-Chieh Huang ◽  
Rishyashring R. Iyer ◽  
Yuan-Zhi Liu ◽  
Stephen A. Boppart

Author(s):  
T Brandvik ◽  
G Pullan

The implementation of a two-dimensional Euler solver on graphics hardware is described. The graphics processing unit is highly parallelized and uses a programming model that is well suited to flow computation. Results for a transonic turbine cascade test-case are presented. For large grids (106 nodes) a 40 times speed-up compared with a Fortran implementation on a contemporary CPU is observed.


2019 ◽  
Vol 16 (05) ◽  
pp. 1840002 ◽  
Author(s):  
Ya Zhang ◽  
Guang Pan ◽  
Qiaogao Huang

A straightforward implementation of the Multi-Block Lattice Boltzmann Method (MB-LBM) on a Graphics Processing Unit (GPU) is presented to accelerate the simulation of fluid flows in two-dimensional geometries. The algorithm is measured in terms of both accuracy and efficiency with the benchmark cases of the lid-driven cavity flow and the flow past a circular cylinder, and satisfactory results are obtained. The results show that the performance on GPU becomes even better with the amount of data increasing. Moreover, the arrangement of the computational domain has a significant effect on the efficiency. These results demonstrate the great potential of GPU on the MB-LBM, especially when dealing with massive data.


2007 ◽  
Author(s):  
Fredrick H. Rothganger ◽  
Kurt W. Larson ◽  
Antonio Ignacio Gonzales ◽  
Daniel S. Myers

2021 ◽  
Vol 22 (10) ◽  
pp. 5212
Author(s):  
Andrzej Bak

A key question confronting computational chemists concerns the preferable ligand geometry that fits complementarily into the receptor pocket. Typically, the postulated ‘bioactive’ 3D ligand conformation is constructed as a ‘sophisticated guess’ (unnecessarily geometry-optimized) mirroring the pharmacophore hypothesis—sometimes based on an erroneous prerequisite. Hence, 4D-QSAR scheme and its ‘dialects’ have been practically implemented as higher level of model abstraction that allows the examination of the multiple molecular conformation, orientation and protonation representation, respectively. Nearly a quarter of a century has passed since the eminent work of Hopfinger appeared on the stage; therefore the natural question occurs whether 4D-QSAR approach is still appealing to the scientific community? With no intention to be comprehensive, a review of the current state of art in the field of receptor-independent (RI) and receptor-dependent (RD) 4D-QSAR methodology is provided with a brief examination of the ‘mainstream’ algorithms. In fact, a myriad of 4D-QSAR methods have been implemented and applied practically for a diverse range of molecules. It seems that, 4D-QSAR approach has been experiencing a promising renaissance of interests that might be fuelled by the rising power of the graphics processing unit (GPU) clusters applied to full-atom MD-based simulations of the protein-ligand complexes.


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