Scaling applications to massively parallel machines using Projections performance analysis tool

Future Generation Computer Systems

Volumn 22, Issue 3, 2006, Pages 347-358

  Kalé, Laxmikant V ^a,b,c,d   Zheng, Gengbin ^a   Lee, Chee Wai ^a,c   Kumar, Sameer ^a  

^a University of Illinois at Urbana Champaign   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^c IEEE   (United States)

^d ASSOCIATION FOR COMPUTING MACHINERY   (United States)

Author keywords

Molecular dynamics; NAMD; Performance analysis; Performance visualization

Indexed keywords

NAMD; PARALLEL EFFICIENCY; PERFORMANCE ANALYSIS; PERFORMANCE VISUALIZATION;

COMPUTATIONAL METHODS; MOLECULAR DYNAMICS; OPTIMIZATION; PERFORMANCE; VISUALIZATION;

PARALLEL PROCESSING SYSTEMS;

EID: 28044432083     PISSN: 0167739X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.future.2004.11.020     Document Type: Conference Paper

References (19)

1. L.V. Kale, and S. Krishnan Charm++: parallel programming with message-driven objects G.V. Wilson P. Lu Parallel Programming Using C++ 1996 MIT Press 175 213
2. C. Huang, O. Lawlor, and L.V. Kalé Adaptive MPI Proceedings of the 16th International Workshop on Languages and Compilers for Parallel Computing (LCPC 03) College Station, TX 2003
3. L.V. Kalé The virtualization model of parallel programming: runtime optimizations and the state of art Proceedings of the LACSI 2002 Albuquerque 2002
4. Upshot, http://www-fp.mcs.anl.gov/lusk/upshot.
5. M. Heath, J. Etheridge, Visualizing the Performance of Parallel Programs, IEEE Software.
6. J.C. Phillips, G. Zheng, S. Kumar, and L.V. Kalé NAMD: biomolecular simulation on thousands of processors Proceedings of the SC 2002 Baltimore, MD 2002
7. Lemieux, http://www.psc.edu/machines/tcs/lemieux.html.
8. L. Kalé, R. Skeel, M. Bhandarkar, R. Brunner, A. Gursoy, N. Krawetz, J. Phillips, A. Shinozaki, K. Varadarajan, and K. Schulten NAMD2: greater scalability for parallel molecular dynamics J. Comput. Phys. 151 1999 283 312
9. L.V. Kale, M. Bhandarkar, N. Jagathesan, S. Krishnan, and J. Yelon Converse: an interoperable framework for parallel programming Proceedings of the 10th International Parallel Processing Symposium 1996 212 217
10. S. Kumar, L.V. Kale, Opportunities and challenges of modern communication architectures: case study with QsNet, Technical Report No. 03-15, Parallel Programming Laboratory, Department of Computer Science, University of Illinois at Urbana-Champaign, 2003.
11. F. Petrini, S. Coll, E. Frachtenberg, A. Hoisie, Performance evaluation of the quadrics interconnection network, Cluster Comput. 6 (2) (2003) 125-142.
12. Quadrics Ltd., http://www.quadrics.com.
13. S.P. Darren, J. Kerbyson, and F. Petrini The case of the missing supercomputer performance: achieving optimal performance on the 8192 processors of ASCI Q Proceedings of the Supercomputing 2003 2003
14. G. Galli, M. Parrinello, Ab initio molecular dynamics: principles and practical implementation, in: Computer Simulation in Chemical Physics, NATO ASI Series C, vol. 397, 1993, p. 261.
15. M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, and J.D. Joannopoulos Rev. Mod. Phys. 64 1992 1045
16. M.E. Tuckerman Ab initio molecular dynamics: basic concepts, current trends and novel applications J. Phys.: Condens. Mat. 14 2002 R1297
17. G. Zheng, T. Wilmarth, O.S. Lawlor, L.V. Kalé, S. Adve, D. Padua, and P. Guebelle Performance modeling and programming environments for petaflops computers and the blue gene machine Proceedings of the NSF Next Generation Systems Program Workshop, 18th International Parallel and Distributed Processing Symposium (IPDPS) 2004 IEEE Press Santa Fe, NM
18. G. Zheng, G. Kakulapati, and L.V. Kalé BigSim: a parallel simulator for performance prediction of extremely large parallel machines Proceedings of the 18th International Parallel and Distributed Processing Symposium (IPDPS) Santa Fe, NM 2004
19. L. DeRose, and D.A. Reed SvPablo: a multi-language architecture-independent performance analysis system Proceedings of the International Conference on Parallel Processing (ICPP) 1999