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Fast Parallel Molecular Simulations
Puni tekst: engleski, pdf (308 KB)
Borštnik, U., Hodošček, M., Janežič, D. (2005). Fast Parallel Molecular Simulations. Croatica Chemica Acta, 78(2), 211-216. Preuzeto s https://hrcak.srce.hr/14
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.
parallel computing; molecular simulations; molecular dynamics
Hrčak ID: 14
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