Molecular Dynamics Simulation of Macromolecules Using Graphics Processing Unit

Molecular dynamics (MD) simulation is a powerful computational tool to study the behavior of macromolecular systems. But many simulations of this field are limited in spatial or temporal scale by the available computational resource. In recent years, graphics processing unit (GPU) provides unprecedented computational power for scientific applications. Many MD algorithms suit with the multithread nature of GPU. In this paper, MD algorithms for macromolecular systems that run entirely on GPU are presented. Compared to the MD simulation with free software GROMACS on a single CPU core, our codes achieve about 10 times speed-up on a single GPU. For validation, we have performed MD simulations of polymer crystallization on GPU, and the results observed perfectly agree with computations on CPU. Therefore, our single GPU codes have already provided an inexpensive alternative for macromolecular simulations on traditional CPU clusters and they can also be used as a basis to develop parallel GPU programs to further speedup the computations.Comment: 21 pages, 16 figure

Improved Parallel Rabin-Karp Algorithm Using Compute Unified Device Architecture

String matching algorithms are among one of the most widely used algorithms in computer science. Traditional string matching algorithms efficiency of underlaying string matching algorithm will greatly increase the efficiency of any application. In recent years, Graphics processing units are emerged as highly parallel processor. They out perform best of the central processing units in scientific computation power. By combining recent advancement in graphics processing units with string matching algorithms will allows to speed up process of string matching. In this paper we proposed modified parallel version of Rabin-Karp algorithm using graphics processing unit. Based on that, result of CPU as well as parallel GPU implementations are compared for evaluating effect of varying number of threads, cores, file size as well as pattern size.Comment: Information and Communication Technology for Intelligent Systems (ICTIS 2017

Fast calculation of HELAS amplitudes using graphics processing unit (GPU)

We use the graphics processing unit (GPU) for fast calculations of helicity amplitudes of physics processes. As our first attempt, we compute $u\bar{u}\to n\gamma$ ($n=2$ to 8) processes in $pp$ collisions at $\sqrt{s} = 14$TeV by transferring the MadGraph generated HELAS amplitudes (FORTRAN) into newly developed HEGET ({\bf H}ELAS {\bf E}valuation with {\bf G}PU {\bf E}nhanced {\bf T}echnology) codes written in CUDA, a C-platform developed by NVIDIA for general purpose computing on the GPU. Compared with the usual CPU programs, we obtain 40-150 times better performance on the GPU.Comment: 14 pages, 8 figure

Air pollution modelling using a graphics processing unit with CUDA

The Graphics Processing Unit (GPU) is a powerful tool for parallel computing. In the past years the performance and capabilities of GPUs have increased, and the Compute Unified Device Architecture (CUDA) - a parallel computing architecture - has been developed by NVIDIA to utilize this performance in general purpose computations. Here we show for the first time a possible application of GPU for environmental studies serving as a basement for decision making strategies. A stochastic Lagrangian particle model has been developed on CUDA to estimate the transport and the transformation of the radionuclides from a single point source during an accidental release. Our results show that parallel implementation achieves typical acceleration values in the order of 80-120 times compared to CPU using a single-threaded implementation on a 2.33 GHz desktop computer. Only very small differences have been found between the results obtained from GPU and CPU simulations, which are comparable with the effect of stochastic transport phenomena in atmosphere. The relatively high speedup with no additional costs to maintain this parallel architecture could result in a wide usage of GPU for diversified environmental applications in the near future.Comment: 5 figure

Fast computation of MadGraph amplitudes on graphics processing unit (GPU)

Continuing our previous studies on QED and QCD processes, we use the graphics processing unit (GPU) for fast calculations of helicity amplitudes for general Standard Model (SM) processes. Additional HEGET codes to handle all SM interactions are introduced, as well assthe program MG2CUDA that converts arbitrary MadGraph generated HELAS amplitudess(FORTRAN) into HEGET codes in CUDA. We test all the codes by comparing amplitudes and cross sections for multi-jet srocesses at the LHC associated with production of single and double weak bosonss a top-quark pair, Higgs boson plus a weak boson or a top-quark pair, and multisle Higgs bosons via weak-boson fusion, where all the heavy particles are allowes to decay into light quarks and leptons with full spin correlations. All the helicity amplitudes computed by HEGET are found to agree with those comsuted by HELAS within the expected numerical accuracy, and the cross sections obsained by gBASES, a GPU version of the Monte Carlo integration program, agree wish those obtained by BASES (FORTRAN), as well as those obtained by MadGraph. The performance of GPU was over a factor of 10 faster than CPU for all processes except those with the highest number of jets.Comment: 37 pages, 12 figure

Application of graphics processing units to search pipelines for gravitational waves from coalescing binaries of compact objects

We report a novel application of a graphics processing unit (GPU) for the purpose of accelerating the search pipelines for gravitational waves from coalescing binaries of compact objects. A speed-up of 16-fold in total has been achieved with an NVIDIA GeForce 8800 Ultra GPU card compared with one core of a 2.5 GHz Intel Q9300 central processing unit (CPU). We show that substantial improvements are possible and discuss the reduction in CPU count required for the detection of inspiral sources afforded by the use of GPUs

Smoke and Shadows: Rendering and Light Interaction of Smoke in Real-Time Rendered Virtual Environments

Realism in computer graphics depends upon digitally representing what we see in the world with careful attention to detail, which usually requires a high degree of complexity in modelling the scene. The inevitable trade-off between realism and performance means that new techniques that aim to improve the visual fidelity of a scene must do so without compromising the real-time rendering performance. We describe and discuss a simple method for realistically casting shadows from an opaque solid object through a GPU (graphics processing unit) based particle system representing natural phenomena, such as smoke

Video-rate laser Doppler vibrometry by heterodyne holography

We report a demonstration video-rate heterodyne holography in off-axis configuration. Reconstruction and display of 1 Megapixel holograms is achieved at 24 frames per second, with a graphics processing unit. Our claims are validated with real-time screening of steady-state vibration amplitudes in a wide-field, non-contact vibrometry experiment.Comment: Optics Letters (2011) 00