We describe the implementation of the cell multipole method CMM in a Ž . Ž . complete molecular dynamics MD simulation program MPSim for massively parallel supercomputers. Tests are made of how the program scales with size Ž . Ž . linearly and with number of CPUs nearly linearly in applications invo
Car–Parrinello Molecular Dynamics on Massively Parallel Computers
✍ Scribed by Jürg Hutter; Alessandro Curioni
- Publisher
- John Wiley and Sons
- Year
- 2005
- Tongue
- English
- Weight
- 79 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1439-4235
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