Interactive Optimization Consultant
{'Code': '05090000', 'Directorate': {'Abbreviation': 'CSE', 'LongName': 'Direct For Computer & Info Scie & Enginr'}, 'Division': {'Abbreviation': 'OAC', 'LongName': 'Office of Advanced Cyberinfrastructure (OAC)'}}
{'SignBlockName': 'Robert G. Voigt', 'PO_EMAI': None, 'PO_PHON': None}
During Phase I, SDSC will obtain the use of the FORGE CRAY              FORTRAN optimization system from Pacific Sierra Research                        Corporation on a trial basis.  The system will be implemented on                one or more of SDSC's Apollo and/or Sun workstations and tested                 by optimizing a series of examples representative of scientific                 and mathematical application software in use at SDSC.                           Optimizations will be performed by both experienced and novice                  CRAY FORTRAN users to evaluate the efficiency and effectiveness                 of FORGE as an optimization aid for the national user community.                At the end of Phase I, a report documenting the testing and                     evaluation results will issued.  Assuming favorable results, a                  permanent license for FORGE will be acquired.                                           During Phase II, FORGE will be integrated into the SDSC                 hardware and software operating environment using a series of                   computational chemistry programs as a testbed environment.  In                  particular, FORGE will be applied to GAUSSIAN86 and MOPAC                       (ab initio and semi-empirical quantum chemistry programs,                       respectively) as well as to MMp2, an empirical force-field                      molecular program.  The emphasis during phase II will be both on                the creation of optimized versions of highly utilized production                codes as well as the development of an experience base and                      associated software and documentation for the integration of                    FORGE into the SDSC operational environment.                                    ----------------------------------------------------------------                                                                                                        This proposal involves the testing of commercial software               for optimization of scientific code.  Chemistry code in the form                of Gaussian 82 and Gaussian 86 (as well as other code) was chosen               as test cases.  It is anticipated that even a small return in                   optimization will result in a large return in supercomputer hours               saved.  Furthermore the optimization routine is expected to                     improve many other software applications as well.  The New                      Technologies program (DASC) will provide $38k; the Computational                Science and Engineering (CISE) will contribute $19k; and                        Chemistry will provide $19k (six months) for Phase I.
{'FirstName': 'Robert', 'LastName': 'Leary', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Robert Leary', 'EmailAddress': None, 'NSF_ID': '000201476', 'StartDate': '09/29/1987', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
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[{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}, {'Code': '2476', 'Text': None}, {'Code': '9120', 'Text': 'CROSS-DIRECTORATE PROGRAMS'}]
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