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Graphical Processing Units for Quantum Chemistry

Computing in Science & Engineering, 2008
The paper provide a brief overview of electronic structure theory and details the implementation of quantum chemistry methods on a graphical processing unit. The paper also analyze algorithm performance in terms of floating-point operations and memory bandwidth, and assess the adequacy of single-precision accuracy for quantum chemistry applications.
Ivan S. Ufimtsev, Todd J. Martínez
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Green computing on graphics processing units

Concurrency and Computation: Practice and Experience, 2015
SummaryTo answer the question ‘How much energy is consumed for a numerical simulation running on Graphic Processing Unit?’, an experimental protocol is here established. The current provided to a graphic processing unit (GPU) during computation is directly measured using amperometric clamps.
Magoulès, Frédéric   +2 more
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An energy model for graphics processing units

2010 IEEE International Conference on Computer Design, 2010
We present an energy model for a graphics processing unit (GPU) that is based on the amount and type of work performed in various parts of the unit. By designing and running directed tests on a GPU, we measure the energy consumed when performing different arithmetic and memory operations, allowing us to accurately predict the energy that any arbitrary ...
Jeff Pool, Anselmo Lastra, Montek Singh
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Genetic programming on graphics processing units

Genetic Programming and Evolvable Machines, 2009
The availability of low cost powerful parallel graphics cards has stimulated the port of Genetic Programming (GP) on Graphics Processing Units (GPUs). Our work focuses on the possibilities offered by Nvidia G80 GPUs when programmed in the CUDA language.
Denis Robilliard   +2 more
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Graphical processing units and scientific applications

The International Journal of High Performance Computing Applications, 2012
This special issue of the International Journal of High Performance Computing Applications collects extended versions of the best three papers presented at the International Workshop on GPUs and Scientific Applications (GPUScA 2010) held in Vienna in September 2010, in conjunction with PACT 2010 – the Annual International Conference on Parallel ...
DI MARTINO, Beniamino   +3 more
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Cell placement on graphics processing units

Proceedings of the 20th annual conference on Integrated circuits and systems design, 2007
Graphics Processing Units (GPUs) can be viewed as stream processors and, therefore, can be applied to improve the performance of data-parallel algorithms. GPUs can beat CPUs in most stream-like algorithms and have been successfully applied to solve problem in areas such as biology, audio and image processing, database queries and others.
Guilherme Flach   +3 more
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Hyperspectral processing in graphical processing units

SPIE Proceedings, 2011
With the advent of the commercial 3D video card in the mid 1990s, we have seen an order of magnitude performance increase with each generation of new video cards. While these cards were designed primarily for visualization and video games, it became apparent after a short while that they could be used for scientific purposes.
Michael E. Winter, Edwin M. Winter
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Comparision of graphics processing units and central processing units [PDF]

open access: possible, 2009
Graphic processors are becoming faster and faster. Computational power within graphic processing units (GPUs) is growing rapidly compared to central processing units (CPUs). Usage of this power is becoming very interesting in many areas. Programmers try to use this power. They are developing new algorithms for non-graphic applications.
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