A New Shared-Memory Programming Paradigm for Molecular Dynamics Simulations on the Intel Paragon

Technical Report · Sun Jan 01 00:00:00 EST 1995

DOI:https://doi.org/10.2172/814063· OSTI ID:814063

D'Azevedo, E F

This report describes the use of shared memory emulation with DOLIB (Distributed Object Library) to simplify parallel programming on the Intel Paragon. A molecular dynamics application is used as an example to illustrate the use of the DOLIB shared memory library. SOTON PAR, a parallel molecular dynamics code with explicit message-passing using a Lennard-Jones 6-12 potential, is rewritten using DOLIB primitives. The resulting code has no explicit message primitives and resembles a serial code. The new code can perform dynamic load balancing and achieves better performance than the original parallel code with explicit message-passing.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: OFFICE OF ENERGY RESEARCH, APPLIED MATHEMATICAL SCIENCES RESEARCH PROGRAM, DOE (US)
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 814063
• Report Number(s): ORNL/TM-12890; TRN: US200316%%413
• Resource Relation: Other Information: PBD: 1 Jan 1995
• Country of Publication: United States
• Language: English

Related Subjects

99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
DYNAMIC LOADS
PERFORMANCE
PROGRAMMING
MOLECULAR DYNAMICS METHOD