Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

[Licence| Download | New Version Template] aele_v1_0.tar.gz(3091 Kbytes) | ||
---|---|---|

Manuscript Title: An object-oriented implementation of a solver of the time-dependent Schrödinger equation using the CUDA technology | ||

Authors: Tomasz Dziubak, Jacek Matulewski | ||

Program title: QnDynCUDA | ||

Catalogue identifier: AELE_v1_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 183(2012)800 | ||

Programming language: C++, C for CUDA. | ||

Computer: Graphics card with CUDA technology recommended. | ||

Operating system: No limits (tested on 32-bit and 64-bit Windows and 64-bit Linux). | ||

Has the code been vectorised or parallelized?: Yes, number of processors used - one CPU core and all CUDA cores of the selected processor of graphics card. | ||

RAM: Dependent on user's parameters, typically between several tens of megabytes and several gigabytes (this concerns also the graphics card's memory). | ||

Supplementary material: Test input and output files ( approx. 3.4 Gigabytes) are available. | ||

Keywords: Time dependent Schrödinger equation, Quantum dynamics, CUDA, GPGPU computing, Complex Chebyshev polynomial and FFT method. | ||

PACS: 07.05.Tp, 03.67.Lx, 34.50.Rk. | ||

Classification: 2.7, 6.5. | ||

Nature of problem:Solving the time-dependent Schrödinger equation | ||

Solution method:FFT and Chebyshev polynomial algorithm, CUDA technology | ||

Running time:Every test example included in the distribution package takes approximately an hour or so if the GPU is engaged and a day or so if only CPU is used. |

Disclaimer | ScienceDirect | CPC Journal | CPC | QUB |