SIMULASI DINAMIKA MOLEKULAR PARTIKEL GAS MULIA DENGAN KOMPUTASI PARALEL

• Main Author: Bagaskara, Radhinka
• Format: Theses
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/42181
• Institution: Institut Teknologi Bandung

Molecular dynamics is a method to simulate movements of atoms or particles in a system. The simulation is computationally complex and the performance heavily depends with the computer. As such, a high performance computation system is necessary to achieve the optimal eciency. One of the solutions is by using parallel computation to speed up the simulation running time. In this research, we use CUDA API developed by Nvidia, to create a parallel molec- ular dynamics simulation with the help of Nvidia's own GPUs. The system used in this simulation is the noble gas particles, i.e. Helium, Neon, Argon, Krypton, Xenon, and Radon. Interactions between particles is modeled by us- ing Lennard-Jones potential and the equations of motion which are integrated with velocity Verlet method. The system is then benchmarked by making com- parisons of the execution time between the serial, parallel simulation GPU on CUDA cores, and parallel simulation CPU with OpenMP. The running time of the parallel simulation is faster than the serial one.