{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2024,2,6]],"date-time":"2024-02-06T03:21:37Z","timestamp":1707189697132},"reference-count":21,"publisher":"Wiley","issue":"4","license":[{"start":{"date-parts":[[2004,9,7]],"date-time":"2004-09-07T00:00:00Z","timestamp":1094515200000},"content-version":"vor","delay-in-days":3447,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[1995,4]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>A parallel distributed implementation of the second\u2010order M\u00f8ller\u2010Plesset perturbation theory method, widely used in quantum chemistry, is presented. Parallelization strategy and performance for the HONDO quantum chemistry program running on a network of Unix computers are also discussed. Superlinear speedups are obtained through a combined use of the CPU and memory of the different processors. Performance for standard and direct algorithms are presented and discussed. A superdirect algorithm that eliminates the communication bottleneck during the integral transformation step is also proposed. \u00a9 1995 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540160402","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T00:41:51Z","timestamp":1104626511000},"page":"395-404","source":"Crossref","is-referenced-by-count":29,"title":["Parallel computation of the MP2 energy on distributed memory computers"],"prefix":"10.1002","volume":"16","author":[{"given":"Antonio M.","family":"M\u00e1rquez","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michel","family":"Dupuis","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","volume-title":"The Electronic Structure of Atoms and Molecules: A Survey of Rigurous Quantum Mechanical Results","author":"Schaefer H. F.","year":"1972"},{"key":"e_1_2_1_3_2","first-page":"280","volume":"5","author":"Pople J. A.","year":"1984","journal-title":"Int. J. Quantum Chem."},{"key":"e_1_2_1_4_2","first-page":"1191","volume-title":"Modern Techniques in Computational Chemistry, 1991","author":"Clementi E.","year":"1991"},{"key":"e_1_2_1_5_2","first-page":"9","volume":"71","author":"Dupuis M.","year":"1987","journal-title":"Theor. Chim. Acta"},{"key":"e_1_2_1_5_3","unstructured":"see alsoJ. D.Watts M.Dupuis andH. O.Villar IBM Technical Report KGN\u201078 IBM Corporation Kingston NY 1986."},{"key":"e_1_2_1_6_2","volume":"1","author":"Dupuis M.","year":"1980","journal-title":"NRCC Software Catalog"},{"key":"e_1_2_1_7_2","series-title":"NATO ASI Series","first-page":"107","volume-title":"Relativistic and Electron Correlation Effects in Molecules and Clusters","author":"Dupuis M.","year":"1994"},{"key":"e_1_2_1_8_2","unstructured":"H. P.L\u00fcethiandJ.Alml\u00f6f University of Minnesota Supercomputer Institute Research Report UMSI 91\/249 Minneapolis MN 1992."},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1007\/BF01126612"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540141004"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540141112"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1002\/cpe.4330020404"},{"key":"e_1_2_1_12_3","volume-title":"Concurrent Computing with PVM","author":"Sunderam V.","year":"1992"},{"key":"e_1_2_1_13_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540030314"},{"key":"e_1_2_1_13_3","first-page":"315","volume-title":"Advanced Theories and Computational Approaches to the Electronic Structure of Molecules","author":"Alml\u00f6f J.","year":"1984"},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(89)87442-1"},{"key":"e_1_2_1_15_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(88)85250-3"},{"key":"e_1_2_1_16_2","first-page":"521","volume":"31","author":"Alrichs R.","year":"1987","journal-title":"Chem. Phys. Lett."},{"key":"e_1_2_1_17_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.462730"},{"key":"e_1_2_1_18_2","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(90)80029-D"},{"key":"e_1_2_1_18_3","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(90)80030-H"}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjcc.540160402","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcc.540160402","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,26]],"date-time":"2023-10-26T20:24:45Z","timestamp":1698351885000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.540160402"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1995,4]]},"references-count":21,"journal-issue":{"issue":"4","published-print":{"date-parts":[[1995,4]]}},"alternative-id":["10.1002\/jcc.540160402"],"URL":"https:\/\/doi.org\/10.1002\/jcc.540160402","archive":["Portico"],"relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[1995,4]]}}}