| Autor: |
Fomin, Eduard, Alemasov, Nikolay |
| Zdroj: |
Parallel Computing Technologies (9783642032745); 2009, p399-405, 7p |
| Abstrakt: |
Calculation of non-bonded interactions takes up to 80% of the total execution time of a molecular dynamics program. It can be accelerated by porting the algorithm to the Cell architecture. A simple method of such porting has been applied to the MOLKERN program, which simulates the structure and dynamics of biomolecular models. A 32-fold speedup was achieved for calculation of short-range non-bonded interactions, and threefold, for long-range Coulomb interactions. The overall program speedup proved to be more than 4. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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