POSTER: Utilizing dataflow-based execution for coupled cluster methods

Heike Mccraw; Anthony Danalis; Thomas Herault; George Bosilca; Jack Dongarra; Karol Kowalski; Theresa L. Windus

doi:10.1109/CLUSTER.2014.6968738

POSTER: Utilizing dataflow-based execution for coupled cluster methods

Heike Mccraw, Anthony Danalis, Thomas Herault, George Bosilca, Jack Dongarra, Karol Kowalski, Theresa L. Windus

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

6 Scopus citations

Abstract

Computational chemistry comprises one of the driving forces of High Performance Computing. In particular, many-body methods, such as Coupled Cluster methods (CC) [1] of the quantum chemistry package NWCHEM [2], are of particular interest for the applied chemistry community.

Original language	English
Title of host publication	2014 IEEE International Conference on Cluster Computing, CLUSTER 2014
Publisher	Institute of Electrical and Electronics Engineers Inc.
Pages	296-297
Number of pages	2
ISBN (Electronic)	9781479955480
DOIs	https://doi.org/10.1109/CLUSTER.2014.6968738
State	Published - Nov 26 2014
Externally published	Yes
Event	16th IEEE International Conference on Cluster Computing, CLUSTER 2014 - Madrid, Spain Duration: Sep 22 2014 → Sep 26 2014

Publication series

Name	2014 IEEE International Conference on Cluster Computing, CLUSTER 2014

Conference

Conference	16th IEEE International Conference on Cluster Computing, CLUSTER 2014
Country/Territory	Spain
City	Madrid
Period	09/22/14 → 09/26/14

Funding

Funders	Funder number
Air Force Office of Scientific Research
Office of Science

Access to Document

10.1109/CLUSTER.2014.6968738

Cite this

Mccraw, H., Danalis, A., Herault, T., Bosilca, G., Dongarra, J., Kowalski, K., & Windus, T. L. (2014). POSTER: Utilizing dataflow-based execution for coupled cluster methods. In 2014 IEEE International Conference on Cluster Computing, CLUSTER 2014 (pp. 296-297). Article 6968738 (2014 IEEE International Conference on Cluster Computing, CLUSTER 2014). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/CLUSTER.2014.6968738

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abstract = "Computational chemistry comprises one of the driving forces of High Performance Computing. In particular, many-body methods, such as Coupled Cluster methods (CC) [1] of the quantum chemistry package NWCHEM [2], are of particular interest for the applied chemistry community.",

author = "Heike Mccraw and Anthony Danalis and Thomas Herault and George Bosilca and Jack Dongarra and Karol Kowalski and Windus, {Theresa L.}",

note = "Publisher Copyright: {\textcopyright} 2014 IEEE.; 16th IEEE International Conference on Cluster Computing, CLUSTER 2014 ; Conference date: 22-09-2014 Through 26-09-2014",

year = "2014",

month = nov,

day = "26",

doi = "10.1109/CLUSTER.2014.6968738",

language = "English",

series = "2014 IEEE International Conference on Cluster Computing, CLUSTER 2014",

publisher = "Institute of Electrical and Electronics Engineers Inc.",

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booktitle = "2014 IEEE International Conference on Cluster Computing, CLUSTER 2014",

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Mccraw, H, Danalis, A, Herault, T, Bosilca, G, Dongarra, J, Kowalski, K & Windus, TL 2014, POSTER: Utilizing dataflow-based execution for coupled cluster methods. in 2014 IEEE International Conference on Cluster Computing, CLUSTER 2014., 6968738, 2014 IEEE International Conference on Cluster Computing, CLUSTER 2014, Institute of Electrical and Electronics Engineers Inc., pp. 296-297, 16th IEEE International Conference on Cluster Computing, CLUSTER 2014, Madrid, Spain, 09/22/14. https://doi.org/10.1109/CLUSTER.2014.6968738

POSTER: Utilizing dataflow-based execution for coupled cluster methods. / Mccraw, Heike; Danalis, Anthony; Herault, Thomas et al.
2014 IEEE International Conference on Cluster Computing, CLUSTER 2014. Institute of Electrical and Electronics Engineers Inc., 2014. p. 296-297 6968738 (2014 IEEE International Conference on Cluster Computing, CLUSTER 2014).

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

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AU - Mccraw, Heike

AU - Danalis, Anthony

AU - Herault, Thomas

AU - Bosilca, George

AU - Dongarra, Jack

AU - Kowalski, Karol

AU - Windus, Theresa L.

PY - 2014/11/26

Y1 - 2014/11/26

N2 - Computational chemistry comprises one of the driving forces of High Performance Computing. In particular, many-body methods, such as Coupled Cluster methods (CC) [1] of the quantum chemistry package NWCHEM [2], are of particular interest for the applied chemistry community.

AB - Computational chemistry comprises one of the driving forces of High Performance Computing. In particular, many-body methods, such as Coupled Cluster methods (CC) [1] of the quantum chemistry package NWCHEM [2], are of particular interest for the applied chemistry community.

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PB - Institute of Electrical and Electronics Engineers Inc.

Y2 - 22 September 2014 through 26 September 2014

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Mccraw H, Danalis A, Herault T, Bosilca G, Dongarra J, Kowalski K et al. POSTER: Utilizing dataflow-based execution for coupled cluster methods. In 2014 IEEE International Conference on Cluster Computing, CLUSTER 2014. Institute of Electrical and Electronics Engineers Inc. 2014. p. 296-297. 6968738. (2014 IEEE International Conference on Cluster Computing, CLUSTER 2014). doi: 10.1109/CLUSTER.2014.6968738

POSTER: Utilizing dataflow-based execution for coupled cluster methods

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