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

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 Gau...

Full description

Saved in:
Bibliographic Details
Published in:International journal of advanced computer science & applications Vol. 10; no. 11
Main Authors: Alias, Norma, Sahnoun, Riadh, Fatin, Nur
Format: Journal Article
Language:English
Published: West Yorkshire Science and Information (SAI) Organization Limited 2019
Subjects:
Algorithms
Benzene
Big Data
Chemical properties
Computing costs
Data transmission
Energy gap
Geometric accuracy
High performance computing
Hydrocarbons
Microprocessors
Molecular orbitals
Performance evaluation
Perturbation theory
Processors
Run time (computers)
ISSN:2158-107X, 2156-5570
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
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.
AbstractList 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.
Author Sahnoun, Riadh
Alias, Norma
Fatin, Nur
Author_xml – sequence: 1
  givenname: Norma
  surname: Alias
  fullname: Alias, Norma
– sequence: 2
  givenname: Riadh
  surname: Sahnoun
  fullname: Sahnoun, Riadh
– sequence: 3
  givenname: Nur
  surname: Fatin
  fullname: Fatin, Nur
BookMark eNotkEtPwzAQhC0EEs9_wMES5xQ_Yjs5lgpoERWVAIlblNrrJojaxXbE48BvJ2m7l92RZmal7xQdOu8AoUtKRjQXsryePYwnz-MRI7QcEUoopeUBOmFUyEwIRQ63d5FRot6O0UWM76QfXjJZ8BP09-RwagAvAphWp9Y77G2v_AZCaiEO6gbcLzjAXWzdCs8XOZ5DarzBt9-guwQG96lpu2rwAoL1YV07DXji15suDYmvNjV4CgmCX_U9vot48VGnwXmOjmz9EeFiv8_Q693ty2SaPT7dzybjx0wzladMcZZzqqEAawhXhQSjuZZK12CWxtSkEIIvWV2KWlpg0qoit5ALEMoWjBl-hq52vZvgPzuIqXr3XXD9y4pJIajkTKjele9cOvgYA9hqE9p1HX4qSqot7GoHuxpgV3vY_B9JxXXu
ContentType Journal Article
Copyright 2019. This work is licensed under https://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.
Copyright_xml – notice: 2019. This work is licensed under https://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.
DBID AAYXX
CITATION
3V.
7XB
8FE
8FG
8FK
8G5
ABUWG
AFKRA
ARAPS
AZQEC
BENPR
BGLVJ
CCPQU
DWQXO
GNUQQ
GUQSH
HCIFZ
JQ2
K7-
M2O
MBDVC
P5Z
P62
PHGZM
PHGZT
PIMPY
PKEHL
PQEST
PQGLB
PQQKQ
PQUKI
Q9U
DOI 10.14569/IJACSA.2019.0101119
DatabaseName CrossRef
ProQuest Central (Corporate)
ProQuest Central (purchase pre-March 2016)
ProQuest SciTech Collection
ProQuest Technology Collection
ProQuest Central (Alumni) (purchase pre-March 2016)
Research Library
ProQuest Central (Alumni)
ProQuest Central UK/Ireland
Advanced Technologies & Computer Science Collection
ProQuest Central Essentials
ProQuest Central
Technology Collection
ProQuest One Community College
ProQuest Central
ProQuest Central Student
Research Library Prep (ProQuest)
SciTech Premium Collection
ProQuest Computer Science Collection
Computer Science Database
Research Library
Research Library (Corporate)
AAdvanced Technologies & Aerospace Database (subscription)
ProQuest Advanced Technologies & Aerospace Collection
ProQuest Central Premium
ProQuest One Academic (New)
Publicly Available Content Database
ProQuest One Academic Middle East (New)
ProQuest One Academic Eastern Edition (DO NOT USE)
One Applied & Life Sciences
ProQuest One Academic (retired)
ProQuest One Academic UKI Edition
ProQuest Central Basic
DatabaseTitle CrossRef
Publicly Available Content Database
Research Library Prep
Computer Science Database
ProQuest Central Student
Technology Collection
ProQuest One Academic Middle East (New)
ProQuest Advanced Technologies & Aerospace Collection
ProQuest Central Essentials
ProQuest Computer Science Collection
ProQuest Central (Alumni Edition)
SciTech Premium Collection
ProQuest One Community College
Research Library (Alumni Edition)
ProQuest Central
ProQuest One Applied & Life Sciences
ProQuest Central Korea
ProQuest Research Library
ProQuest Central (New)
Advanced Technologies & Aerospace Collection
ProQuest Central Basic
ProQuest One Academic Eastern Edition
ProQuest Technology Collection
ProQuest SciTech Collection
Advanced Technologies & Aerospace Database
ProQuest One Academic UKI Edition
ProQuest One Academic
ProQuest One Academic (New)
ProQuest Central (Alumni)
DatabaseTitleList Publicly Available Content Database
Database_xml – sequence: 1
  dbid: PIMPY
  name: Publicly Available Content Database
  url: http://search.proquest.com/publiccontent
  sourceTypes: Aggregation Database
DeliveryMethod fulltext_linktorsrc
Discipline Computer Science
EISSN 2156-5570
ExternalDocumentID 10_14569_IJACSA_2019_0101119
GroupedDBID .DC
5VS
8G5
AAYXX
ABUWG
ADMLS
AFFHD
AFKRA
ALMA_UNASSIGNED_HOLDINGS
ARAPS
AZQEC
BENPR
BGLVJ
CCPQU
CITATION
DWQXO
EBS
EJD
GNUQQ
GUQSH
HCIFZ
K7-
KQ8
M2O
OK1
PHGZM
PHGZT
PIMPY
PQGLB
RNS
3V.
7XB
8FE
8FG
8FK
JQ2
MBDVC
P62
PKEHL
PQEST
PQQKQ
PQUKI
PUEGO
Q9U
ID FETCH-LOGICAL-c274t-732431ce8efd03786edc3c67caedbdda08553b2a95a6fe26f784fe45e57f822d3
IEDL.DBID P5Z
ISICitedReferencesCount 0
ISICitedReferencesURI http://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=Summon&SrcAuth=ProQuest&DestLinkType=CitingArticles&DestApp=WOS_CPL&KeyUT=000504404900019&url=https%3A%2F%2Fcvtisr.summon.serialssolutions.com%2F%23%21%2Fsearch%3Fho%3Df%26include.ft.matches%3Dt%26l%3Dnull%26q%3D
ISSN 2158-107X
IngestDate Fri Sep 12 01:51:06 EDT 2025
Sat Nov 29 02:25:56 EST 2025
IsDoiOpenAccess true
IsOpenAccess true
IsPeerReviewed false
IsScholarly true
Issue 11
Language English
LinkModel DirectLink
MergedId FETCHMERGED-LOGICAL-c274t-732431ce8efd03786edc3c67caedbdda08553b2a95a6fe26f784fe45e57f822d3
Notes ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 14
OpenAccessLink https://www.proquest.com/docview/2655163257?pq-origsite=%requestingapplication%
PQID 2655163257
PQPubID 5444811
ParticipantIDs proquest_journals_2655163257
crossref_primary_10_14569_IJACSA_2019_0101119
PublicationCentury 2000
PublicationDate 2019-00-00
PublicationDateYYYYMMDD 2019-01-01
PublicationDate_xml – year: 2019
  text: 2019-00-00
PublicationDecade 2010
PublicationPlace West Yorkshire
PublicationPlace_xml – name: West Yorkshire
PublicationTitle International journal of advanced computer science & applications
PublicationYear 2019
Publisher Science and Information (SAI) Organization Limited
Publisher_xml – name: Science and Information (SAI) Organization Limited
SSID ssj0000392683
Score 2.0514524
Snippet High computational complexity problem, high computational cost and deal with a big data are the motivation to study the physical and chemical properties of...
SourceID proquest
crossref
SourceType Aggregation Database
Index Database
SubjectTerms Algorithms
Benzene
Big Data
Chemical properties
Computing costs
Data transmission
Energy gap
Geometric accuracy
High performance computing
Hydrocarbons
Microprocessors
Molecular orbitals
Performance evaluation
Perturbation theory
Processors
Run time (computers)
Title On the Prediction of Properties of Benzene using MP4 Method Executed on High Performance Computing with Heterogeneous Platform
URI https://www.proquest.com/docview/2655163257
Volume 10
WOSCitedRecordID wos000504404900019&url=https%3A%2F%2Fcvtisr.summon.serialssolutions.com%2F%23%21%2Fsearch%3Fho%3Df%26include.ft.matches%3Dt%26l%3Dnull%26q%3D
hasFullText 1
inHoldings 1
isFullTextHit
isPrint
journalDatabaseRights – providerCode: PRVPQU
  databaseName: Advanced Technologies & Aerospace Database
  customDbUrl:
  eissn: 2156-5570
  dateEnd: 99991231
  omitProxy: false
  ssIdentifier: ssj0000392683
  issn: 2158-107X
  databaseCode: P5Z
  dateStart: 20100101
  isFulltext: true
  titleUrlDefault: https://search.proquest.com/hightechjournals
  providerName: ProQuest
– providerCode: PRVPQU
  databaseName: Computer Science Database
  customDbUrl:
  eissn: 2156-5570
  dateEnd: 99991231
  omitProxy: false
  ssIdentifier: ssj0000392683
  issn: 2158-107X
  databaseCode: K7-
  dateStart: 20100101
  isFulltext: true
  titleUrlDefault: http://search.proquest.com/compscijour
  providerName: ProQuest
– providerCode: PRVPQU
  databaseName: ProQuest Central
  customDbUrl:
  eissn: 2156-5570
  dateEnd: 99991231
  omitProxy: false
  ssIdentifier: ssj0000392683
  issn: 2158-107X
  databaseCode: BENPR
  dateStart: 20100101
  isFulltext: true
  titleUrlDefault: https://www.proquest.com/central
  providerName: ProQuest
– providerCode: PRVPQU
  databaseName: Publicly Available Content Database
  customDbUrl:
  eissn: 2156-5570
  dateEnd: 99991231
  omitProxy: false
  ssIdentifier: ssj0000392683
  issn: 2158-107X
  databaseCode: PIMPY
  dateStart: 20100101
  isFulltext: true
  titleUrlDefault: http://search.proquest.com/publiccontent
  providerName: ProQuest
– providerCode: PRVPQU
  databaseName: Research Library
  customDbUrl:
  eissn: 2156-5570
  dateEnd: 99991231
  omitProxy: false
  ssIdentifier: ssj0000392683
  issn: 2158-107X
  databaseCode: M2O
  dateStart: 20100101
  isFulltext: true
  titleUrlDefault: https://search.proquest.com/pqrl
  providerName: ProQuest
link http://cvtisr.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwpV1Lb9QwEB7RlgMXylO0lJUPXE03TycntK22akG7tXhIC5coOx5XSCjZbrYIceC3M5N4KVy4cIlkOXYifeOZ8fjzDMBLk6PJ08xrMnGqU8xKXSd1qT2ahK1N5LDwfbEJM58Xi0VpQ8CtC7TKrU7sFbVrUWLkx3EuRzoJS9jr1bWWqlFyuhpKaOzAnmRJkNINNvv8O8YyZuOf95k4uVOymJpFuD3HbkN5fPFmcvp-IvSu8pWkWosk3c6f1ulv5dxbnLP9__3XB3A_-JpqMgjHQ7hDzSPY39ZxUGFZP4afl41iP1DZtZzaCFKq9dxqV0K6pk5aJ9T8YLWohCd_pWY2VbO-9rSafifk6ZziUUIaUfb2KoIaviUjJN6rzoV707LIUnvTKfu13sibT-Dj2fTD6bkOdRk08h52ow07YUmEVJB348QUOTlMMDdYk1s6Vwv1LVnGdZnVuac496ZIPaUZZcazP-KSp7DbtA09A4XoTckeWkQpO0I-KnCZRZ7GWC4zHKfRAegtHtVqSL9RybZF8KsG_CrBrwr4HcDRFpEqLMauuoXj8N_dz-GeTDZEWI5gd7O-oRdwF79tvnTrEeydTOf23Qh23hrNz1l8OerljXvsxcx--gXS0Nxk
linkProvider ProQuest
linkToHtml http://cvtisr.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMw1V1Lb9QwEB6VggQXyquiUMAHOJpuYidODggtpdUu210iUaS9haw9RkgoWTbbFjj0J_U3MpMHhQu3Hjhajh3J_jzzeTwPgOcmtibWkZdoQi21jVJZqCKV3hpF2iZwNvFNsQkzmyXzeZptwEUfC8Nulb1MbAS1qyzbyPfCmJ90FCHs9fKb5KpR_Lral9BoYTHBH2d0Zatfjd_S_r4Iw8OD4_2R7KoKSEs3sLU0RCFUYDFB7wbKJDE6q2xsbIFu4VzBjltqERZpVMQew9ibRHvUEUbGkzZ1iua9Bte1Sgyfq4mRv206AyIbcZP5kxQpZ0018y5aj2hKujd-N9z_MGR3svQlp3YLOL3Pn9rwb2XQaLjDrf9tbe7A7Y5Li2EL_ruwgeU92OrrVIhObN2H8_elIJ4rshW_SjESReWpVS3ZqRxrbr3B8ieJfcFxAJ_FNNNi2tTWFgff0dJ0TtAodooR2WWohWj_xSPYni1G7FtU0ZHE6qQW2ddizV8-gI9XsgrbsFlWJT4EYa03KTHQADURPR8kdhEFHgc2XUR2oIMdkP3-58s2vUjO1zLGS97iJWe85B1edmC3R0DeCZs6v9z-R__ufgY3R8fTo_xoPJs8hls8cWtN2oXN9eoEn8ANe7r-Uq-eNrgW8OmqwfILRZo2LQ
openUrl ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=On+the+Prediction+of+Properties+of+Benzene+using+MP4+Method+Executed+on+High+Performance+Computing+with+Heterogeneous+Platform&rft.jtitle=International+journal+of+advanced+computer+science+%26+applications&rft.au=Alias%2C+Norma&rft.au=Sahnoun%2C+Riadh&rft.au=Nur+Fatin+Kamila+Zanalabidin&rft.date=2019&rft.pub=Science+and+Information+%28SAI%29+Organization+Limited&rft.issn=2158-107X&rft.eissn=2156-5570&rft.volume=10&rft.issue=11&rft_id=info:doi/10.14569%2FIJACSA.2019.0101119
thumbnail_l http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=2158-107X&client=summon
thumbnail_m http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=2158-107X&client=summon
thumbnail_s http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=2158-107X&client=summon