References
- Todorov IT, Smith W, Trachenko K, et al. DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism. J Mater Chem. 2006;16(20):1911–1918. doi: 10.1039/b517931a
- Quentrec B, Brot C. New method for searching for neighbors in molecular dynamics computations. J Comput Phys. 1973;13(3):430–432. doi: 10.1016/0021-9991(73)90046-6
- Grest GS, Dünweg B, Kremer K. Vectorized link cell Fortran code for molecular dynamics simulations for a large number of particles. Comput Phys Commun. 1989;55(3):269–285. doi: 10.1016/0010-4655(89)90125-2
- Meyer R. Efficient parallelization of molecular dynamics simulations with short-ranged forces. J Phys: Conf Ser. 2014;540(1):012006.
- Gonnet P. Pairwise verlet lists: combining cell lists and verlet lists to improve memory locality and parallelism. J Comput Chem. 2012;33(1):76–81. doi: 10.1002/jcc.21945
- Gonnet P. A simple algorithm to accelerate the computation of non-bonded interactions in cell-based molecular dynamics simulations. J Comput Chem. 2007;28(2):570–573. doi: 10.1002/jcc.20563
- Gonnet P. Pseudo-verlet lists: a new, compact neighbour list representation. Mol Simul. 2013;39(9):721–727. doi: 10.1080/08927022.2012.762097
- Ltaief H, Yokota R. Data-driven execution of fast multipole methods. Concurrency Comput: Pract Exp. 2014;26(11):1935–1946. doi: 10.1002/cpe.3132
- Gonnet P, Schaller M, Theuns T, et al. Swift: fast algorithms for multi-resolution sph on multi-core architectures. arXiv preprint arXiv:13093783. 2013.
- Duran A, Ayguadé E, Badia RM, et al. OmpSs: a proposal for programming heterogeneous multi-core architectures. Parallel Process Lett. 2011;21(02):173–193. doi: 10.1142/S0129626411000151
- Augonnet C, Thibault S, Namyst R, et al. StarPU: a unified platform for task scheduling on heterogeneous multicore architectures. Concurrency Comput: Pract Exp. 2011;23(2):187–198. doi: 10.1002/cpe.1631