Original scientific paper
Fast Parallel Molecular Simulations
Full text: english pdf 308 Kb
page 211-216
downloads: 1.137
cite
APA 6th Edition
(2005). Fast Parallel Molecular Simulations. Croatica Chemica Acta, 78 (2), 211-216. Retrieved from https://hrcak.srce.hr/14
MLA 8th Edition
"Fast Parallel Molecular Simulations." Croatica Chemica Acta, vol. 78, no. 2, 2005, pp. 211-216. https://hrcak.srce.hr/14. Accessed 12 May 2026.
Chicago 17th Edition
"Fast Parallel Molecular Simulations." Croatica Chemica Acta 78, no. 2 (2005): 211-216. https://hrcak.srce.hr/14
Harvard
(2005). 'Fast Parallel Molecular Simulations', Croatica Chemica Acta, 78(2), pp. 211-216. Available at: https://hrcak.srce.hr/14 (Accessed 12 May 2026)
Vancouver
Fast Parallel Molecular Simulations. Croatica Chemica Acta [Internet]. 2005 [cited 2026 May 12];78(2):211-216. Available from: https://hrcak.srce.hr/14
IEEE
"Fast Parallel Molecular Simulations", Croatica Chemica Acta, vol.78, no. 2, pp. 211-216, 2005. [Online]. Available: https://hrcak.srce.hr/14. [Accessed: 12 May 2026]
Abstract
We have developed and built several clusters of Personal Computers (PCs) that we use to perform parallel molecular simulations of chemically, physically, and biologically relevant systems. We describe the distinguishing networking topology of our clusters that enable them to perform classical and quantum mechanical computer simulations faster than standard PC clusters. Several techniques that we have used in parallelizing simulation programs are described. We employed these clusters for simulations of several different molecular systems. Also the computational performance of these simulations on our PC clusters is presented.
Keywords
parallel computing; molecular simulations; molecular dynamics
Hrčak ID:
14
URI
https://hrcak.srce.hr/14
Publication date:
15.6.2005.
Article data in other languages:
croatian
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