A block-oriented language and runtime system for tensor algebra with very large arrays

2010 ACM/IEEE International Conference for High Performance Computing, Networking, Storage and Analysis, SC 2010

Volumn , Issue , 2010, Pages

  Sanders, Beverly A ^a   Bartlett, Rod ^b   Deumens, Erik ^b   Lotrich, Victor ^c   Ponton, Mark ^c  

^a J Crayton Pruitt Family Department of Biomedical Engineering   (United States)

^b UNIVERSITY OF FLORIDA   (United States)

^c ACES QC   (United States)

Author keywords

Blocked arrays; Computational chemistry; Domain specific language; MPI; Parallel; Petascale; Tiled arrays; Very large arrays

Indexed keywords

BLOCKED ARRAYS; DOMAIN SPECIFIC LANGUAGES; MPI; PARALLEL; PETASCALE; TILED ARRAYS; VERY LARGE ARRAYS;

C (PROGRAMMING LANGUAGE); PARALLEL PROGRAMMING; PROBLEM ORIENTED LANGUAGES; TENSORS;

COMPUTATIONAL CHEMISTRY;

EID: 78650825962     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/SC.2010.3     Document Type: Conference Paper

References (23)

1. "Aces III, "http://www.qtp.ufl.edu/ACES/.
2. V. Lotrich, N. Flocke, M. Ponton, A. D. Yau, A. Perera, E. Deumens, and R. J. Bartlett, "Parallel implementation of electronic structure energy, gradient and Hessian calculations, "J. Chem. Phys., vol. 128, p. 194104 (15 pages), 2008.
3. V. F. Lotrich, J. M. Ponton, A. S. Perera, E. Deumens, R. J. Bartlett, and B. A. Sanders, "Super Instruction Architecture for petascale electronic structure software: the story, "Mol. Phys, 2010, special issue: Electrons, Molecules, Solids, and Biosystems: Fifty Years of the Quantum Theory Project. (conditionally accepted).
4. R. J. Bartlett and M. Musial, "Coupled cluster theory in quantum chemistry, "Rev. Mod. Phys., vol. 79, no. 1, pp. 291-352, January 2007.
5. J. Guo, G. Bikshandi, B. B. Fraguela, M. J. Garzaran, and D. Padua, "Programming with tiles, "in PPoPP'08: Proceedings of the 13th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming. New York, NY, USA: ACM, 2008, pp. 111-122.
6. P. Bientinesi, E. S. Quintana-Ortí, and R. A. van de Geijn, "Representing linear algebra algorithms in code: The FLAME application programming interfaces, "ACM Transactions on Mathematical Software, vol. 31, no. 1, pp. 27-59, Mar. 2005. [Online]. Available: http://doi.acm.org/10. 1145/1055531.1055533.
7. R. A. van de Geijn and E. S. Quintana-Ortí, The Science of Programming Matrix Computations. www.lulu.com, 2008.
8. "Workshop on parallelization of coupled cluster methods benchmark table, "http://www.qtp.ufl.edu/PCCworkshop/PCCbenchmarks.html.
9. R. Kendall, E. Apra, D. Bernholdt, E. Bylaska1, M. Dupuis, G. Fann, R. Harrison, J. Ju, J. Nichols, J. Nieplocha, T. Straatsma, T. Windus, and A. Wong, "High performance computational chemistry: An overview of NWChem a distributed parallel application, "Comput. Phys. Comm., vol. 128, no. 1, pp. 268-283, June 2000.
10. J. Nieplocha, R. J. Harrison, and R. J. Littlefield, "Global arrays: a nonuniform memory access programming model for high-performance computers, "J. Supercomput., vol. 10, no. 2, pp. 169-189, 1996.
11. R. W. Numrich and J. Reid, "Co-array Fortran for parallel programming, "SIGPLAN Fortran Forum, vol. 17, no. 2, pp. 1-31, 1998.
12. T. El-Ghazawi, W. Carlson, T. Sterling, and K. Yelick, UPC: Distributed Shared Memory Programming (Wiley Series on Parallel and Distributed Computing). Wiley-Interscience, 2005.
13. P. N. Hilfinger, D. Bonachea, D. Gay, S. Graham, B. Liblit, G. Pike, and K. Yelick, "Titanium language reference manual, "University of California at Berkeley, Berkeley, CA, USA, Tech. Rep., 2001.
14. P. Charles, C. Grothoff, V. Saraswat, C. Donawa, A. Kielstra, K. Ebcioglu, C. von Praun, and V. Sarkar, "X10: an object-oriented ppproach to non-uniform cluster computing, "in OOPSLA'05: Proceedings of the 20th annual ACM SIGPLAN conference on Object-Oriented Programming, Systems, Languages, and Applications. New York, NY, USA: ACM, 2005, pp. 519-538.
15. B. Chamberlain, D. Callahan, and H. Zima, "Parallel programmability and the Chapel language, "Int. J. High Perform. Comput. Appl., vol. 21, no. 3, pp. 291-312, 2007.
16. R. J. Harrison, "Global arrays, "Theoret. Chim. Acta, vol. 84, pp. 363- 375, 1993.
17. G. Karlströn, R. Lindh, P.-A. Malmqvist, U. Ryde, V. Veryazov, P.-O. Widmark, M. Cossi, B. Schimmelpfennig, P. Neogrady, and L. Seijo, "MOLCAS: A program package for computational chemistry, "Comp. Mat. Sci., vol. 28, pp. 222-239, 2003.
18. H. Löschka, R. Shepard, R. M. Pitzer, I. Shavitt, M. Dallos, T. Müller, P. Szalay, M. Seth, G. S. Kedziora, S. Yabushita, and Z. Zhang, "Highlevel multireference methods in quantum-chemistry program system COLUMBUS: analytic MR-CISD and MR-AQCC gradients and MRAQCC- LRT for excited states, GUGA spin-orbit CI and parallel CI density, " Phys. Chem. Chem. Phys., vol. 3, pp. 664-673, 2001.
19. G. D. Fletcher, M. W. Schmidt, B. M. Bode, and M. S. Gordon, "The distributed data interface in GAMESS, "Comp. Phys. Comm., vol. 128, pp. 190-200, 2000.
20. M. W. Schmidt, K. Baldridge, J. A. Boatz, S. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, "GAMESS quantum chemistry software, "J. Comput Chem., vol. 14, pp. 1347-1363, 1993.
21. J. L. Bentz, R. M. Olson, M. S. Gordon, M. W. Schmidt, and R. A. Kendall, "Coupled cluster algorithms for networks of shared memory parallel processors, "Comput. Phys. Comm., vol. 176, pp. 589-600, 2007.
22. G. Baumgartner, A. Auer, D. A. Bernholdt, A. Bibireata, V. Choppella, D. Cociorva, X. Gao, R. J. Harrison, S. Hirata, S. Krishnamoorthy, S. Krishnan, C. Lam, Q. Lu, M. Nooijen, R. M. Pitzer, J. Ramanujam, P. Sadayappan, and A. Sibiryakov, "Synthesis of high-performance parallel programs for a class of ab initio quantum chemistry models, "Proceedings of the IEEE, vol. 93, no. 2, pp. 276-292, 2005.
23. K. Asanovic, R. Bodik, J. Demmel, T. Keaveny, K. Keutzer, J. Kubiatowicz, N. Morgan, D. Patterson, K. Sen, J. Wawrzynek, D. Wessel, and K. Yelick, "A view of the parallel computing landscape, "Commun. ACM, vol. 52, no. 10, pp. 56-67, 2009.