Title :
Parallel Computational Modelling of Inelastic Neutron Scattering in Multi-node and Multi-core Architectures
Author :
Garba, Michael T. ; González-Vélez, Horacio ; Roach, Daniel L.
Author_Institution :
Sch. of Comput., Robert Gordon Univ., Aberdeen, UK
Abstract :
This paper examines the initial parallel implementation of SCATTER, a computationally intensive inelastic neutron scattering routine with polycrystalline averaging capability, for the General Utility Lattice Program (GULP). Of particular importance to structural investigation on the atomic scale, this work identifies the computational features of SCATTER relevant to a parallel implementation and presents initial results from performance tests on multi-core and multi-node environments. Our initial approach exhibits near-linear scalability up to 256 MPI processes for a significant model.
Keywords :
multiprocessing systems; parallel processing; physics computing; general utility lattice program; inelastic neutron scattering; multicore architectures; multinode architectures; parallel computational modelling; polycrystalline averaging capability; Algorithmic Skeletons; Computational Physics; Lattice Dynamics; Multi-Core Processors; Neutron Scattering; Parallel Programming; Scientific computing;
Conference_Titel :
High Performance Computing and Communications (HPCC), 2010 12th IEEE International Conference on
Conference_Location :
Melbourne, VIC
Print_ISBN :
978-1-4244-8335-8
Electronic_ISBN :
978-0-7695-4214-0
DOI :
10.1109/HPCC.2010.45
