Jezik: | Slovenski jezik |
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Leto izida: | 2022 |
Tipologija: | 2.11 - Diplomsko delo |
Organizacija: | UL FRI - Fakulteta za računalništvo in informatiko |
Založnik: | [T. Erent] |
UDK: | 004.021(043.2) |
COBISS: | 99473667 |
Št. ogledov: | 150 |
Št. prenosov: | 32 |
Ocena: | 0 (0 glasov) |
Metapodatki: |
Sekundarni jezik: | Angleški jezik |
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Sekundarni naslov: | Parallel genetic algorithm in OpenCL for simulating molecular dynamics |
Sekundarni povzetek: | In this thesis we developed a parallel genetic algorithm which can run on heterogeneous systems to simulate molecular dynamics. The algorithm uses an empirical scoring function. We simulated molecule docking to a receptor protein and searched for optimal molecule position. We used OpenCL framework. We analysed the convergence and efficiency of the algorithm. We were primarily concerned with the simulation execution time. We used two ligands as test cases. The algorithm was evaluated on two graphics accelerators and a multi-core processor. Parallel algorithm converges and returns the expected results. For more efficient use of a graphics processing unit and achieving better speedup the algorithm needs further optimization. |
Sekundarne ključne besede: | genetic algorithm;OpenCL;molecular dynamics;computer science;diploma;Genetski algoritmi;Vzporedni algoritmi;Računalništvo;Univerzitetna in visokošolska dela; |
Vrsta dela (COBISS): | Diplomsko delo/naloga |
Študijski program: | 1000468 |
Komentar na gradivo: | Univ. v Ljubljani, Fak. za računalništvo in informatiko |
Strani: | 44 str. |
ID: | 14657170 |