Use of cluster OpenMP with the Gaussian quantum chemistry code: A preliminary performance analysis

Rui Yang; Jie Cai; Alistair P. Rendell; V. Ganesh

doi:10.1007/978-3-642-02303-3_5

Use of cluster OpenMP with the Gaussian quantum chemistry code: A preliminary performance analysis

Rui Yang, Jie Cai, Alistair P. Rendell, V. Ganesh

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

2 Citations (Scopus)

Abstract

The Intel Cluster OpenMP (CLOMP) compiler and associated runtime environment offer the potential to run OpenMP applications over a few nodes of a cluster. This paper reports on our efforts to use CLOMP with the Gaussian quantum chemistry code. Sample results on a four node quad core Intel cluster show reasonable speedups. In some cases it is found preferable to use multiple nodes compared to using multiple cores within a single node. The performances of the different benchmarks are analyzed in terms of page faults and by using a critical path analysis technique.

Original language	English
Title of host publication	Evolving OpenMP in an Age of Extreme Parallelism
Subtitle of host publication	5th International Workshop on OpenMP, IWOMP 2009, Proceedings
Editors	M.S. Muller, B.R. de Supinski, G.M. Chapman
Publisher	Springer
Pages	53-62
Number of pages	10
Volume	5568
ISBN (Electronic)	978-3-642-02303-3
ISBN (Print)	3642022847, 9783642022845
DOIs	https://doi.org/10.1007/978-3-642-02303-3_5
Publication status	Published - 1 Dec 2009
Externally published	Yes
Event	5th International Workshop on OpenMP, IWOMP 2009 - Dresden, Germany Duration: 3 Jun 2009 → 5 Jun 2009

Publication series

Name	Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
Volume	5568
ISSN (Print)	0302-9743
ISSN (Electronic)	1611-3349

Conference

Conference	5th International Workshop on OpenMP, IWOMP 2009
Country/Territory	Germany
City	Dresden
Period	3/06/09 → 5/06/09

Keywords

Cluster OpenMP
Performance
Quantum chemistry code

Access to Document

10.1007/978-3-642-02303-3_5Licence: In Copyright

https://rdcu.be/dA9lTLicence: In Copyright

Cite this

Yang, R., Cai, J., Rendell, A. P., & Ganesh, V. (2009). Use of cluster OpenMP with the Gaussian quantum chemistry code: A preliminary performance analysis. In M. S. Muller, B. R. de Supinski, & G. M. Chapman (Eds.), Evolving OpenMP in an Age of Extreme Parallelism: 5th International Workshop on OpenMP, IWOMP 2009, Proceedings (Vol. 5568, pp. 53-62). (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol. 5568). Springer . https://doi.org/10.1007/978-3-642-02303-3_5

Yang, Rui ; Cai, Jie ; Rendell, Alistair P. et al. / Use of cluster OpenMP with the Gaussian quantum chemistry code : A preliminary performance analysis. Evolving OpenMP in an Age of Extreme Parallelism: 5th International Workshop on OpenMP, IWOMP 2009, Proceedings. editor / M.S. Muller ; B.R. de Supinski ; G.M. Chapman. Vol. 5568 Springer , 2009. pp. 53-62 (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)).

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abstract = "The Intel Cluster OpenMP (CLOMP) compiler and associated runtime environment offer the potential to run OpenMP applications over a few nodes of a cluster. This paper reports on our efforts to use CLOMP with the Gaussian quantum chemistry code. Sample results on a four node quad core Intel cluster show reasonable speedups. In some cases it is found preferable to use multiple nodes compared to using multiple cores within a single node. The performances of the different benchmarks are analyzed in terms of page faults and by using a critical path analysis technique.",

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Yang, R, Cai, J, Rendell, AP & Ganesh, V 2009, Use of cluster OpenMP with the Gaussian quantum chemistry code: A preliminary performance analysis. in MS Muller, BR de Supinski & GM Chapman (eds), Evolving OpenMP in an Age of Extreme Parallelism: 5th International Workshop on OpenMP, IWOMP 2009, Proceedings. vol. 5568, Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), vol. 5568, Springer , pp. 53-62, 5th International Workshop on OpenMP, IWOMP 2009, Dresden, Germany, 3/06/09. https://doi.org/10.1007/978-3-642-02303-3_5

Use of cluster OpenMP with the Gaussian quantum chemistry code: A preliminary performance analysis. / Yang, Rui; Cai, Jie; Rendell, Alistair P. et al.
Evolving OpenMP in an Age of Extreme Parallelism: 5th International Workshop on OpenMP, IWOMP 2009, Proceedings. ed. / M.S. Muller; B.R. de Supinski; G.M. Chapman. Vol. 5568 Springer , 2009. p. 53-62 (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); Vol. 5568).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AU - Yang, Rui

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AU - Ganesh, V.

PY - 2009/12/1

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N2 - The Intel Cluster OpenMP (CLOMP) compiler and associated runtime environment offer the potential to run OpenMP applications over a few nodes of a cluster. This paper reports on our efforts to use CLOMP with the Gaussian quantum chemistry code. Sample results on a four node quad core Intel cluster show reasonable speedups. In some cases it is found preferable to use multiple nodes compared to using multiple cores within a single node. The performances of the different benchmarks are analyzed in terms of page faults and by using a critical path analysis technique.

AB - The Intel Cluster OpenMP (CLOMP) compiler and associated runtime environment offer the potential to run OpenMP applications over a few nodes of a cluster. This paper reports on our efforts to use CLOMP with the Gaussian quantum chemistry code. Sample results on a four node quad core Intel cluster show reasonable speedups. In some cases it is found preferable to use multiple nodes compared to using multiple cores within a single node. The performances of the different benchmarks are analyzed in terms of page faults and by using a critical path analysis technique.

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Yang R, Cai J, Rendell AP, Ganesh V. Use of cluster OpenMP with the Gaussian quantum chemistry code: A preliminary performance analysis. In Muller MS, de Supinski BR, Chapman GM, editors, Evolving OpenMP in an Age of Extreme Parallelism: 5th International Workshop on OpenMP, IWOMP 2009, Proceedings. Vol. 5568. Springer . 2009. p. 53-62. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)). doi: 10.1007/978-3-642-02303-3_5

Use of cluster OpenMP with the Gaussian quantum chemistry code: A preliminary performance analysis

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Keywords

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