Implementation and evaluation of MPI-based parallel MD program

International Journal of Quantum Chemistry

Volumn 84, Issue 1, 2001, Pages 23-31

  Trobec, R ^a   Sterk M ^b   Praprotnik, M ^a   Janezic D ^a  

^a JO EF STEFAN INSTITUTE   (Slovenia)

^b NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

Object oriented library; Parallel MD simulation; Ring network

Indexed keywords

ALGORITHMS; ATOMS; CALCULATIONS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; MOLECULAR STRUCTURE; OBJECT ORIENTED PROGRAMMING; QUANTUM THEORY; USER INTERFACES;

MESSAGE PASSING INTERFACE; N PARTICLE SIMULATION ALGORITHM; OBJECT ORIENTED LIBRARY; PARALLEL MOLECULAR DYNAMICS SIMULATION; PARTICLE PARTICLE INTERACTIONS; RING NETWORK; SECOND ORDER LEAPFROG VERLET ALGORITHM;

MOLECULAR DYNAMICS;

EID: 0034857469     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1303     Document Type: Conference Paper

References (12)