Molecular dynamics simulations (MDS) require massive amounts of computation, and the inherent parallelism of the method makes it highly suitable for the use of both SIMD and MIMD parallel computers. An implementation of an MDS program for transputer arrays is presented, for the simulation of rigid p
Concurrent molecular dynamics simulation of spinodal phase transition on transputer arrays
✍ Scribed by F. Brugè; S.L. Fornili
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 739 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0010-4655
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✦ Synopsis
We describe a concurrent implementation on cost-effective transputer arrays of a molecular dynamics program to efficiently simulate physical systems consisting of thousands of mobile particles with an interaction range much shorter than the system dimensions. This program, which uses a geometric decomposition strategy and includes a distributed dynamic load balancer, has been extensively tested by simulating the two-dimensional spinodal phase separation of a large Lennard-Jones system.
📜 SIMILAR VOLUMES
Structural phase transitions in RbNO 3 and CsNO 3 are studied by molecular dynamics. The simulations are based on the parameter-free potentials calculated from the Gordon+Kim modi5ed electron gas formalism, extended to ionic molecular crystals. The microscopic mechanism of the structural phase trans