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CONCURRENT PROCESSING IN COMPUTATIONAL CHEMISTRY

Award Information

Agency:
National Science Foundation 		Branch:
N/A 		Award ID:
7650 		Program Year/Program:
1987 / SBIR
Agency Tracking Number:
7650 		Solicitation Year:
N/A 		Solicitation Topic Code:
N/A 		Solicitation Number:
N/A
Small Business Information
Chemical Dynamics Corp
9560 Pennsylvania Ave Upper Marlboro, MD 20772
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Woman-Owned: Yes
Minority-Owned: No
HUBZone-Owned: No
 
Phase 1
Fiscal Year: 1987
Title: CONCURRENT PROCESSING IN COMPUTATIONAL CHEMISTRY
Agency: NSF
Contract: N/A
Award Amount: $40,000.00
 

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.

Principal Investigator:

Michael j. redmond
3015991050

Business Contact:

Small Business Information at Submission:

Chemical Dynamics Corpon
9560 Pennsylvania Ave. Upper Marlboro, MD 20772

EIN/Tax ID:
DUNS: N/A
Number of Employees: N/A
Woman-Owned: No
Minority-Owned: No
HUBZone-Owned: No