mm_par2.0: An object-oriented molecular dynamics simulation program parallelized using a hierarchical scheme with MPI and OPENMP.
Kwang Jin OhJi Hoon KangHun Joo MyungPublished in: Comput. Phys. Commun. (2012)
Keyphrases
- molecular dynamics
- high performance computing
- molecular dynamics simulations
- message passing interface
- massively parallel
- parallel computing
- grid computing
- computing resources
- computing systems
- energy efficiency
- distributed memory
- shared memory
- computing environments
- fault tolerance
- object oriented
- programming environment
- distributed computing
- sensor networks
- limited resources
- protein folding
- energy consumption