Croatica Chemica Acta, Vol. 78 No. 2, 2005.
Izvorni znanstveni članak
Fast Parallel Molecular Simulations
Urban Borštnik
Milan Hodošček
Dušanka Janežič
Sažetak
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.
Ključne riječi
parallel computing; molecular simulations; molecular dynamics
Hrčak ID:
14
URI
Datum izdavanja:
15.6.2005.
Posjeta: 2.263 *