Bibliographic Details
| Title: |
Pseudo-Verlet lists: a new, compact neighbour list representation. |
| Authors: |
Gonnet, Pedro1 |
| Source: |
Molecular Simulation. Aug2013, Vol. 39 Issue 9, p721-727. 7p. |
| Subjects: |
Molecular dynamics, Simulation methods & models, Cache memory, Nonbonded molecular interactions, Bandwidths, Graphics processing units, Geometry |
| Abstract: |
Verlet lists, or neighbour lists, are a popular device to speed up the computation of non-bonded interactions in molecular dynamics and other particle-based simulations, in which a list of interacting particles for a given geometry is computed once and reused over several time steps until the geometry changes significantly. The size of the Verlet list is generallyindices in the range, whereNis the total number of particles, ρNis the particle number density andrcandrsare the cutoff and skin distances, respectively. Due to their memory requirements, Verlet lists are not always an optimal choice on multi-core or graphics processing unit systems in which the memory bandwidth per core is limited. This paper introducespseudo-Verlet lists, an alternative neighbour list representation which requires only 13Nindices in the range, thus requiring less storage, and resulting in better cache reuse. [ABSTRACT FROM AUTHOR] |
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| Database: |
Engineering Source |
