TY - GEN
T1 - NAMD
T2 - 10th Annual International Workshop on Languages and Compilers for Parallel Computing, LCPC 1997
AU - Kalé, L. V.
AU - Bhandarkar, M.
AU - Brunner, R.
AU - Krawetz, N.
AU - Phillips, J.
AU - Shinozaki, A.
N1 - Publisher Copyright:
© 1998, Springer-Verlag. All rights reserved.
PY - 1998
Y1 - 1998
N2 - Parallel languages are tools for constructing efficient application programs, while reducing the required labor. In this light, using the most appropriate tool for each component of a complex system seems natural, resulting in multi-paradigm multilingual programming. The Converse system developed at Illinois addresses the issues involved in supporting multilingual applications. This paper describes the development of a large parallel application in Computational Biophysics from the point of view of multilingual programming. NAMD, a molecular dynamics program, is implemented using three different “paradigms”: Parallel message-driven objects, Message-Passing, and Multithreading. The issues faced in implementing such a system, and the advantages of multilingual approach are discussed. NAMD is already operational on many parallel machines. Some preliminary performance results are presented and the lessons learned from this experience are discussed.
AB - Parallel languages are tools for constructing efficient application programs, while reducing the required labor. In this light, using the most appropriate tool for each component of a complex system seems natural, resulting in multi-paradigm multilingual programming. The Converse system developed at Illinois addresses the issues involved in supporting multilingual applications. This paper describes the development of a large parallel application in Computational Biophysics from the point of view of multilingual programming. NAMD, a molecular dynamics program, is implemented using three different “paradigms”: Parallel message-driven objects, Message-Passing, and Multithreading. The issues faced in implementing such a system, and the advantages of multilingual approach are discussed. NAMD is already operational on many parallel machines. Some preliminary performance results are presented and the lessons learned from this experience are discussed.
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U2 - 10.1007/BFb0032705
DO - 10.1007/BFb0032705
M3 - Conference contribution
AN - SCOPUS:84957876653
SN - 3540644725
SN - 9783540644729
T3 - Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
SP - 367
EP - 381
BT - Languages and Compilers for Parallel Computing - 10th International Workshop, LCPC 1997, Proceedings
A2 - Yew, Pen-Chung
A2 - Huang, Chua-Huang
A2 - Sadayappan, P.
A2 - Li, Zhiyuan
A2 - Chatterjee, Siddharta
A2 - Sehr, David
PB - Springer
Y2 - 7 August 1997 through 9 August 1997
ER -