Programs in Physics & Physical Chemistry
|
|
Programs in Physics & Physical Chemistry |
|
| Manuscript Title: MontePython: Implementing Quantum Monte Carlo using Python | ||
| Authors: Jon Kristian Nilsen | ||
| Program title: MontePython | ||
| Catalogue identifier: ADZP_v1_0 Distribution format: tar.gz | ||
| Journal reference: Comput. Phys. Commun. 177(2007)799 | ||
| Programming language: C++, Python. | ||
| Computer: PC, IBM RS6000/320, HP, ALPHA. | ||
| Operating system: LINUX. | ||
| Has the code been vectorised or parallelized?: Yes, parallelized with MPI | ||
| Number of processors used: 1-96 | ||
| RAM: Depends on physical system to be simulated | ||
| Keywords: Python, C++, Quantum Monte Carlo, Bose-Einstein condensation, MPI. | ||
| PACS: 03.75.Hh, 03.75.Lm. | ||
| Classification: 7.6, 16.1. | ||
Nature of problem: Investigating ab initio quantum mechanical systems, specifically Bose-Einstein condensation in dilute gases of 87Rb. | ||
Solution method: Quantum Monte Carlo | ||
Running time: 225 min. with 20 particles, (with 4800 walkers moved in 1750 time steps) on 1 AMD Opteron(tm) Processor 2218 processor; Production run for, e.g., 200 particles takes around 24 hours on 32 such processors. |
| Disclaimer | ScienceDirect | CPC Journal | CPC | QUB |