| Recently, cloud computing has emerged as a prevalent computing paradigm with the advantage of virtualization, scalability, fault tolerance, and a usage based pricing model. Replica Exchange Molecular Dynamics (REMD), as a scientific application, is a technique which can improve the sampling of the potential energy during the process of Molecular Dynamics. Because of its inherent parallel feature, it is realistic to be converted to a cloud computing application. In our work, we implemented Hadoop based REMD on both cloud computing and parallel computing platforms. The performance of REMD was tested on both platforms and the advantage of cloud computing platform was illustrated. |
