Parallel Computational Modelling of Inelastic Neutron Scattering in Multi-node and Multi-core Architectures

Garba, Michael T. , González-Vélez, Horacio and Roach, Daniel L. (2010) Parallel Computational Modelling of Inelastic Neutron Scattering in Multi-node and Multi-core Architectures. In: 12th IEEE International Conference on High Performance Computing and Communications (HPCC), 2010. IEEE Computer Society, pp. 509-514. ISBN 9780769542140

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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.

Item Type:	Book Section
Subjects:	Q Science > QA Mathematics > Electronic computers. Computer science T Technology > T Technology (General) > Information Technology > Electronic computers. Computer science
Divisions:	School of Computing > Staff Research and Publications
Depositing User:	Caoimhe Ní Mhaicín
Date Deposited:	27 Feb 2014 19:33
Last Modified:	14 Jun 2014 11:45
URI:	https://norma.ncirl.ie/id/eprint/946

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