Quantum chemical calculations using the floating point systems, Inc. Model 164 attached processor
The Theoretical Chemistry Group at Argonne National Laboratory has had a Floating Point System, Inc., Model 164 Attached Processor (FPS‐164) for several months. Actual production calculations, as well as benchmark calculations, indicate that the FPS‐164 is capable of performance comparable to large...
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| Veröffentlicht in: | Int. J. Quant. Chem., Quant. Biol. Symp.; (United States) Quant. Biol. Symp.; (United States), 1983-01, Vol.24 (S17), p.613-622 |
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| container_end_page | 622 |
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| container_issue | S17 |
| container_start_page | 613 |
| container_title | Int. J. Quant. Chem., Quant. Biol. Symp.; (United States) |
| container_volume | 24 |
| creator | Shepard, Ron Bair, Raymond A. Eades, Robert A. Wagner, Albert F. Davis, Michael J. Harding, Lawrence B. Dunning Jr, Thom H. |
| description | The Theoretical Chemistry Group at Argonne National Laboratory has had a Floating Point System, Inc., Model 164 Attached Processor (FPS‐164) for several months. Actual production calculations, as well as benchmark calculations, indicate that the FPS‐164 is capable of performance comparable to large mainframe computers. Our experience with the FPS‐164 includes the conversion of a complete system of electronic structure codes, including integral evaluation programs, generalized valence bond programs, integral transformation programs, and unitary group configuration interaction programs, and two classical trajectory codes. Timings of these programs at various levels of optimization along with estimates of the amount of effort required to make the necessary program modifications are discussed. |
| doi_str_mv | 10.1002/qua.560240865 |
| format | Article |
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Our experience with the FPS‐164 includes the conversion of a complete system of electronic structure codes, including integral evaluation programs, generalized valence bond programs, integral transformation programs, and unitary group configuration interaction programs, and two classical trajectory codes. 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Model 164 attached processor</title><title>Int. J. Quant. Chem., Quant. Biol. Symp.; (United States)</title><addtitle>Int. J. Quantum Chem</addtitle><description>The Theoretical Chemistry Group at Argonne National Laboratory has had a Floating Point System, Inc., Model 164 Attached Processor (FPS‐164) for several months. Actual production calculations, as well as benchmark calculations, indicate that the FPS‐164 is capable of performance comparable to large mainframe computers. Our experience with the FPS‐164 includes the conversion of a complete system of electronic structure codes, including integral evaluation programs, generalized valence bond programs, integral transformation programs, and unitary group configuration interaction programs, and two classical trajectory codes. Timings of these programs at various levels of optimization along with estimates of the amount of effort required to make the necessary program modifications are discussed.</description><subject>08 HYDROGEN</subject><subject>080800 - Hydrogen- Properties & Composition</subject><subject>400800 - Combustion, Pyrolysis, & High-Temperature Chemistry</subject><subject>CHEMICAL REACTION KINETICS</subject><subject>COMPUTER CALCULATIONS</subject><subject>ELECTRONIC STRUCTURE</subject><subject>ELEMENTS</subject><subject>FLAMES</subject><subject>HYDROCARBONS</subject><subject>HYDROGEN</subject><subject>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</subject><subject>KINETICS</subject><subject>MECHANICS</subject><subject>NONMETALS</subject><subject>ORGANIC COMPOUNDS</subject><subject>QUANTUM MECHANICS</subject><subject>REACTION KINETICS</subject><issn>0020-7608</issn><issn>1097-461X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1983</creationdate><recordtype>article</recordtype><recordid>eNp9kEFPGzEQhS1EJQLtkbvVM5uO7bWdPSIEKW0KigQCcbGcWbtxu1mHtVdt_n1dBSFOHEajmfneG-kRcspgygD4l-fRTqUCXsNMyQMyYdDoqlbs8ZBMyh0qrWB2RI5T-gUASig9IXY52j6PG4prtwloO1oKx87mEPtExxT6nzSvHfVdLLsybGPoM027lN0mndHrHqf0R2xdR5mqqc3ZFquWboeILqU4fCQfvO2S-_TST8j91eXdxddqcTu_vjhfVChAyYrX3K8kQ65n4H1dSxBNy1Chsk46Dy2gXK2YsKJZsVpwbLhrvUatuJccvDghn_e-MeVgEobscI2x7x1mIxvJoIYCVXsIh5jS4LzZDmFjh51hYP6HaEqI5jXEwus9_yd0bvc-bJb352-VL59CCervq9IOv43SQkvzcDM3_On741I9zc038Q-6YoUK</recordid><startdate>19830101</startdate><enddate>19830101</enddate><creator>Shepard, Ron</creator><creator>Bair, Raymond A.</creator><creator>Eades, Robert A.</creator><creator>Wagner, Albert F.</creator><creator>Davis, Michael J.</creator><creator>Harding, Lawrence B.</creator><creator>Dunning Jr, Thom H.</creator><general>John Wiley & Sons, Inc</general><scope>BSCLL</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>19830101</creationdate><title>Quantum chemical calculations using the floating point systems, Inc. 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Quantum Chem</addtitle><date>1983-01-01</date><risdate>1983</risdate><volume>24</volume><issue>S17</issue><spage>613</spage><epage>622</epage><pages>613-622</pages><issn>0020-7608</issn><eissn>1097-461X</eissn><abstract>The Theoretical Chemistry Group at Argonne National Laboratory has had a Floating Point System, Inc., Model 164 Attached Processor (FPS‐164) for several months. Actual production calculations, as well as benchmark calculations, indicate that the FPS‐164 is capable of performance comparable to large mainframe computers. Our experience with the FPS‐164 includes the conversion of a complete system of electronic structure codes, including integral evaluation programs, generalized valence bond programs, integral transformation programs, and unitary group configuration interaction programs, and two classical trajectory codes. Timings of these programs at various levels of optimization along with estimates of the amount of effort required to make the necessary program modifications are discussed.</abstract><cop>New York</cop><pub>John Wiley & Sons, Inc</pub><doi>10.1002/qua.560240865</doi><tpages>10</tpages></addata></record> |
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| identifier | ISSN: 0020-7608 |
| ispartof | Int. J. Quant. Chem., Quant. Biol. Symp.; (United States), 1983-01, Vol.24 (S17), p.613-622 |
| issn | 0020-7608 1097-461X |
| language | eng |
| recordid | cdi_crossref_primary_10_1002_qua_560240865 |
| source | Wiley Online Library All Journals |
| subjects | 08 HYDROGEN 080800 - Hydrogen- Properties & Composition 400800 - Combustion, Pyrolysis, & High-Temperature Chemistry CHEMICAL REACTION KINETICS COMPUTER CALCULATIONS ELECTRONIC STRUCTURE ELEMENTS FLAMES HYDROCARBONS HYDROGEN INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY KINETICS MECHANICS NONMETALS ORGANIC COMPOUNDS QUANTUM MECHANICS REACTION KINETICS |
| title | Quantum chemical calculations using the floating point systems, Inc. Model 164 attached processor |
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