The Science and Information (SAI) Organization
  • Home
  • About Us
  • Journals
  • Conferences
  • Contact Us

Publication Links

  • IJACSA
  • Author Guidelines
  • Publication Policies
  • Metadata Harvesting (OAI2)
  • Digital Archiving Policy

IJACSA

  • About the Journal
  • Call for Papers
  • Author Guidelines
  • Fees/ APC
  • Submit your Paper
  • Current Issue
  • Archives
  • Indexing
  • Editors
  • Reviewers
  • Apply as a Reviewer

IJARAI

  • About the Journal
  • Archives
  • Indexing & Archiving
  • Editorial Board

Special Issues

  • Home
  • Archives
  • Proposals
  • Guest Editors

Computing Conference 2021

  • Home
  • Call for Papers
  • Submit your Paper/Poster
  • Register
  • Venue
  • Contact

Intelligent Systems Conference (IntelliSys) 2021

  • Home
  • Call for Papers
  • Submit your Paper/Poster
  • Register
  • Venue
  • Contact

Future Technologies Conference (FTC) 2021

  • Home
  • Call for Papers
  • Submit your Paper/Poster
  • Register
  • Venue
  • Contact

Future of Information and Communication Conference (FICC) 2021

  • Home
  • Call for Papers
  • Submit your Paper/Poster
  • Register
  • Venue
  • Contact
  • Home
  • Call for Papers
  • Guidelines
  • Fees
  • Submit your Paper
  • Current Issue
  • Archives
  • Indexing
  • Editors
  • Reviewers
  • Subscribe

Article Details

Copyright Statement: This is an open access article licensed under a Creative Commons Attribution 4.0 International License, which permits unrestricted use, distribution, and reproduction in any medium, even commercially as long as the original work is properly cited.

On the Prediction of Properties of Benzene using MP4 Method Executed on High Performance Computing with Heterogeneous Platform

Author 1: Norma Alias
Author 2: Riadh Sahnoun
Author 3: Nur Fatin Kamila Zanalabidin

Download PDF

Digital Object Identifier (DOI) : 10.14569/IJACSA.2019.0101119

Article Published in International Journal of Advanced Computer Science and Applications(IJACSA), Volume 10 Issue 11, 2019.

  • Abstract and Keywords
  • How to Cite this Article
  • {} BibTeX Source

Abstract: High computational complexity problem, high computational cost and deal with a big data are the motivation to study the physical and chemical properties of benzene. Based on the limitation of memory system, processor speed and huge time step computation, we propose the implementation of parallel Gaussian suites of program, particularly the program dealing with high order Møller–Plesset perturbation theory, on high performance homogeneous computing platform (HPC) for predicting the physical and chemical properties of small to medium size molecules, such as benzene, the subject of the present work. Besides high accuracy of the geometrical parameters that can be offered by MP4 simulation, orbital shapes, HOMO-LUMO energy gaps and spectral properties of the molecule are among the properties that can be obtained with accurate prediction. In order to achieve high performance indicators, we need to execute the program in multiple instruction and data stream (MIMD) paradigm using homogenous processors architecture. At the end of this paper, it is shown that Parallel algorithm of Gaussian program using the Linda software can be executed and is well suited in both homogenous and heterogeneous processors. The performance evaluation is essentially based on run time, temporal performance, effectiveness, efficiency, and speedup.

Keywords: MP4; parallel computing; homogenous platform; properties of benzene; high performance computing

Norma Alias, Riadh Sahnoun and Nur Fatin Kamila Zanalabidin, “On the Prediction of Properties of Benzene using MP4 Method Executed on High Performance Computing with Heterogeneous Platform” International Journal of Advanced Computer Science and Applications(IJACSA), 10(11), 2019. http://dx.doi.org/10.14569/IJACSA.2019.0101119

@article{Alias2019,
title = {On the Prediction of Properties of Benzene using MP4 Method Executed on High Performance Computing with Heterogeneous Platform},
journal = {International Journal of Advanced Computer Science and Applications},
doi = {10.14569/IJACSA.2019.0101119},
url = {http://dx.doi.org/10.14569/IJACSA.2019.0101119},
year = {2019},
publisher = {The Science and Information Organization},
volume = {10},
number = {11},
author = {Norma Alias and Riadh Sahnoun and Nur Fatin Kamila Zanalabidin}
}


IJACSA

Upcoming Conferences

Future of Information and Communication Conference (FICC) 2021

29-30 April 2021

  • Virtual

Computing Conference 2021

15-16 July 2021

  • London, United Kingdom

IntelliSys 2021

2-3 September 2021

  • Amsterdam, The Netherlands

Future Technologies Conference (FTC) 2021

28-29 October 2021

  • Vancouver, Canada
The Science and Information (SAI) Organization
BACK TO TOP

Computer Science Journal

  • About the Journal
  • Call for Papers
  • Submit Paper
  • Indexing

Our Conferences

  • Computing Conference
  • Intelligent Systems Conference
  • Future Technologies Conference
  • Communication Conference

Help & Support

  • Contact Us
  • About Us
  • Terms and Conditions
  • Privacy Policy

© 2018 The Science and Information (SAI) Organization Limited. Registered in England and Wales. Company Number 8933205. All rights reserved. thesai.org