CONCURRENT PROCESSING IN COMPUTATIONAL CHEMISTRY

Award Information
Agency:
National Science Foundation
Branch
n/a
Amount:
$40,000.00
Award Year:
1987
Program:
SBIR
Phase:
Phase I
Contract:
n/a
Award Id:
7650
Agency Tracking Number:
7650
Solicitation Year:
n/a
Solicitation Topic Code:
n/a
Solicitation Number:
n/a
Small Business Information
Chemical Dynamics Corpon (Currently Chemical Dynamics Corp)
9560 Pennsylvania Ave., Upper Marlboro, MD, 20772
Hubzone Owned:
N
Minority Owned:
N
Woman Owned:
N
Duns:
n/a
Principal Investigator:
MICHAEL J. REDMOND
(301) 599-1050
Business Contact:
() -
Research Institution:
n/a
Abstract
THIS PROGRAM INVESTIGATES THE USE OF A NEW MIMD COMPUTER SYSTEM, THE INTEL IPSC HYPERCUBE, FOR POTENTIAL USE AS A MO-LECULAR MODELINGSYSTEM. PHASE I WILL STUDY ALGORITHMS FOR EFFICIENTLY PROGRAMMING MOLECULAR DYNAMICS SIMULATION ON THIS SYSTEM WITH CONCURRENT REALTIME GRAPHICAL ANALYSIS. THE LATEST MEMBERS OF THE IPSC FAMILY OFFER POTENTIALLY SUPERCOMPUTER PERFORMANCE IN A SYSTEM PRICED IN THE RANGE OFPRESENT SUPERMINICOMPUTERS. HOWEVER, BECAUSE THEY UTILIZE ALARGE NUMBER OF MICROPROCESSORS (NODES) OPERATING IN PARAL- LEL WITH EACH PROCESSOR CAPABLE OF BEING TIGHTLY COUPLED TO A TWO-MFLOPS VECTOR PROCESSORS, AND UTILIZE PROCESSES COUPL-ING ARBITRARY NUMBERS OF NODES NOVEL ALGORITHMS ARE REQUIREDTO FULLY EXPLOIT THE ARCHITECTURE. THE MULTIPROCESS CONCUR-RENCY OF THE ARCHITECTURE WILL BE EXPLORED IN PHASE I TO DE-VELOP INNOVATIVE TECHNIQUES FOR PERFORMING GRAPHICAL ANALY- SIS OF A MOLECULAR SIMULATION DURING COMPUTATION. ANTICIPA-TED RESULTS OF PHASE I ARE NEW ALGORITHMS FOR PARALLEL SIMU-LATION AND GRAPHICAL ANALYSIS OF INTEREST TO A WIDE RANGE OFAREAS IN MOLECULAR SCIENCE. THE CONCLUSIONS WILL BE APPLICABLE TO OTHER COMPUTERS USING THIS ARCHITECTURE. BY EXTEND-ING THE TYPES OF METHODS STUDIED, THE POSSIBILITY EXISTS FORTHE DEVELOPMENT OF AN INTEGRATED RESEARCH TOOL OF CONSIDERA-BLE INTEREST TO THE CHEMICAL COMMUNITY.

* information listed above is at the time of submission.

Agency Micro-sites


SBA logo

Department of Agriculture logo

Department of Commerce logo

Department of Defense logo

Department of Education logo

Department of Energy logo

Department of Health and Human Services logo

Department of Homeland Security logo

Department of Transportation logo

Enviromental Protection Agency logo

National Aeronautics and Space Administration logo

National Science Foundation logo
US Flag An Official Website of the United States Government