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2013 National Conference on Parallel Computing Technologies (PARCOMPTECH) (2013)
Bangalore, India
Feb. 21, 2013 to Feb. 23, 2013
ISBN: 978-1-4799-1589-7
pp: 1-5
Vibhuti Duggal , Computer Division, Bhabha Atomic Research Centre, Mumbai, India
D. N. V. R. Subrahmanyam , Computer Division, IGCAR, Kalpakkam, India
Gaurav Mishra , Theoretical Physics Division, Bhabha Atomic Research Centre, Mumbai, India
Kislay Bhatt , Computer Division, Bhabha Atomic Research Centre, Mumbai, India
Rajesh Kalmady , Computer Division, Bhabha Atomic Research Centre, Mumbai, India
ABSTRACT
Different parallel programming paradigms were explored to parallelize the MD-ILAC[1][2][3][4] (Molecular Dynamics for Interaction of Laser with Atomic Clusters). MD-ILAC is a 3 dimensional, relativistic molecular dynamic code to simulate the interaction of intense lasers with atomic clusters. It can simulate the interaction dynamics of various gaseous clusters. Molecular Dynamics approach is especially suited to study this problem, as an atomic cluster is a collection of a few particles. In this paper, we present a comparative study of performance achieved by parallelizing this program using different parallel processing paradigms.
INDEX TERMS
CUDA, Molecular Dynamics, OpenMP, MPI
CITATION
Vibhuti Duggal, D. N. V. R. Subrahmanyam, Gaurav Mishra, Kislay Bhatt, Rajesh Kalmady, "Parallelization of molecular dynamics code", 2013 National Conference on Parallel Computing Technologies (PARCOMPTECH), vol. 00, no. , pp. 1-5, 2013, doi:10.1109/ParCompTech.2013.6621390
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