Relative performances of several scientific computers for a liquid molecular dynamics simulation. [Computers tested are: VAX 11/70, CDC 7600, CRAY-1, CRAY-1*, VAX-FPSAP]

Conference · Fri Aug 01 00:00:00 EDT 1980

OSTI ID:6508151

Ceperley, D M

Some of the computational characteristics of simulations and the author's experience in using his standard simulation program called CLAMPS on several scientific computers are discussed. CLAMPS is capable of performing Metropolis Monte Carlo and Molecular Dynamics simulations of arbitrary mixtures of single atoms. The computational characteristics of simulations and what makes a good simulation computer are also summarized.

• Research Organization: Lawrence Berkeley Lab., CA (USA)
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 6508151
• Report Number(s): LBL-12054; CONF-800814-33
• Resource Relation: Conference: 180. American Chemical Society meeting/2. chemical congress of the North American Continent, Las Vegas, NV, USA, 24 Aug 1980
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
COMPUTERS
PERFORMANCE TESTING
MANY-BODY PROBLEM
COMPUTERIZED SIMULATION
CDC COMPUTERS
CRAY COMPUTERS
SIMULATION
TESTING
400201* - Chemical & Physicochemical Properties
990200 - Mathematics & Computers