A new shared-memory programming paradigm for molecular dynamics simulations on the Intel Paragon

Technical Report · Wed Nov 30 23:00:00 EST 1994

DOI:https://doi.org/10.2172/28414· OSTI ID:28414

D`Azevedo, E F; Romine, C H

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., TN (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: AC05-84OR21400
• OSTI ID: 28414
• Report Number(s): ORNL/TM--12890; ON: DE95007289
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
99 GENERAL AND MISCELLANEOUS
COMPUTER CODES
COMPUTERIZED SIMULATION
DISTRIBUTED DATA PROCESSING
DYNAMICS
LENNARD-JONES POTENTIAL
MEMORY MANAGEMENT
MOLECULES
PARALLEL PROCESSING