VECTORIZED AND PARALLELIZED ALGORITHMS FOR MULTIMILLION PARTICLE MD-SIMULATION

Authors
FORM W ITO N KOHRING GA
Citation
W. Form et al., VECTORIZED AND PARALLELIZED ALGORITHMS FOR MULTIMILLION PARTICLE MD-SIMULATION, International journal of modern physics C, 4(6), 1993, pp. 1085-1101
Citations number
17
Categorie Soggetti
Mathematical Method, Physical Science","Physycs, Mathematical","Computer Science Interdisciplinary Applications
Journal title
International journal of modern physics C → ACNP
ISSN journal
01291831
Volume
4
Issue
6
Year of publication
1993
Pages
1085 - 1101
Database
ISI
SICI code
0129-1831(1993)4:6<1085:VAPAFM>2.0.ZU;2-#
Abstract
We present fully vectorized and parallelized algorithms for the molecu lar dynamics simulation of particle systems with short-range interacti on. Speed of million particle updates per second are achieved with mod ern vector and parallel computers, thus making the simulation of milli on particle systems possible. We present results for the Cray YMP, JAE RI/NEC MONTE-4 vector computers and the Intel Paragon XP/S and Thinkin g Machine CM-5 parallel computers.