{"created":"2025-01-18T22:46:14.311829+00:00","updated":"2025-01-23T02:04:30.038533+00:00","metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00011670","sets":["581:664:673"]},"path":["673"],"owner":"1","recid":"11670","title":["GAMESSのMCQDPT2計算についての並列化ベンチマーク"],"pubdate":{"attribute_name":"公開日","attribute_value":"2002-04-15"},"_buckets":{"deposit":"e19ecb0a-3b43-4c15-b56d-0999f6883e39"},"_deposit":{"id":"11670","pid":{"type":"depid","value":"11670","revision_id":0},"owners":[1],"status":"published","created_by":1},"item_title":"GAMESSのMCQDPT2計算についての並列化ベンチマーク","author_link":["0","0"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"GAMESSのMCQDPT2計算についての並列化ベンチマーク"},{"subitem_title":"Benchmark Tests on Parallelized MCQDPT2 Calculations with GAMESS","subitem_title_language":"en"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"特集：並列処理","subitem_subject_scheme":"Other"}]},"item_type_id":"2","publish_date":"2002-04-15","item_2_text_3":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"大阪府立大学／富士総合研究所"},{"subitem_text_value":"大阪府立大学"},{"subitem_text_value":"産業技術総合研究所"},{"subitem_text_value":"アイオワ州立大学"}]},"item_2_text_4":{"attribute_name":"著者所属(英)","attribute_value_mlt":[{"subitem_text_value":"Osaka Prefecture University/Fuji Research Institute Corporation","subitem_text_language":"en"},{"subitem_text_value":"Osaka Prefecture University","subitem_text_language":"en"},{"subitem_text_value":"National Institute of Advanced Industrial Science and Technology","subitem_text_language":"en"},{"subitem_text_value":"Iowa State University","subitem_text_language":"en"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"publish_status":"0","weko_shared_id":-1,"item_file_price":{"attribute_name":"Billing file","attribute_type":"file","attribute_value_mlt":[{"url":{"url":"https://ipsj.ixsq.nii.ac.jp/record/11670/files/IPSJ-JNL4304008.pdf"},"date":[{"dateType":"Available","dateValue":"2004-04-15"}],"format":"application/pdf","billing":["billing_file"],"filename":"IPSJ-JNL4304008.pdf","filesize":[{"value":"300.1 kB"}],"mimetype":"application/pdf","priceinfo":[{"tax":["include_tax"],"price":"660","billingrole":"5"},{"tax":["include_tax"],"price":"330","billingrole":"6"},{"tax":["include_tax"],"price":"0","billingrole":"8"},{"tax":["include_tax"],"price":"0","billingrole":"44"}],"accessrole":"open_date","version_id":"e5dc02ba-c3c2-4519-b753-ae2bf8a5f34c","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 2002 by the Information Processing Society of Japan"}]},"item_2_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"梅田, 宏明"},{"creatorName":"小関, 史朗"},{"creatorName":"長嶋, 雲兵"},{"creatorName":"マイケルW, シュミット"}],"nameIdentifiers":[{}]}]},"item_2_creator_6":{"attribute_name":"著者名(英)","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Hiroaki, Umeda","creatorNameLang":"en"},{"creatorName":"Shiro, Koseki","creatorNameLang":"en"},{"creatorName":"Umpei, Nagashima","creatorNameLang":"en"},{"creatorName":"Michael, W.Schmidt","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_2_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AN00116647","subitem_source_identifier_type":"NCID"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourceuri":"http://purl.org/coar/resource_type/c_6501","resourcetype":"journal article"}]},"item_2_source_id_11":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"1882-7764","subitem_source_identifier_type":"ISSN"}]},"item_2_description_7":{"attribute_name":"論文抄録","attribute_value_mlt":[{"subitem_description":"Distributed Data Interface（DDI）ライブラリを用いてGAMESSのMCQDPT2 （multiconfiguration quasi-degenerate second-order perturbation theory）ルーチンを並列化した．特に大きな分子を計算する際に問題となる二電子積分の積分変換部分についても，リモートメモリアクセスを利用することにより，高い並列化性能を得ることができた．ベンチマーク計算として比較的大きな有機分子についてのMCQDPT2計算を行ったところ，特にPCクラスタにおいて高い並列化性能を示している．","subitem_description_type":"Other"}]},"item_2_description_8":{"attribute_name":"論文抄録(英)","attribute_value_mlt":[{"subitem_description":"The multiconfiguration quasi-degenerate second-order perturbation theory(MCQDPT2) routines in GAMESS suite of program codes have been parallelizedusing a distributed data interface (DDI).When remote memory access used, high parallelization speedups are achivedeven in two electron integral transformation.For benchmark calculations, we apply our parallelization code to relatively large organic molecules.It shows high efficiency especially for PC clusters.","subitem_description_type":"Other"}]},"item_2_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"913","bibliographic_titles":[{"bibliographic_title":"情報処理学会論文誌"}],"bibliographicPageStart":"905","bibliographicIssueDates":{"bibliographicIssueDate":"2002-04-15","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"4","bibliographicVolumeNumber":"43"}]},"relation_version_is_last":true,"item_2_alternative_title_2":{"attribute_name":"その他タイトル","attribute_value_mlt":[{"subitem_alternative_title":"高性能計算"}]},"weko_creator_id":"1"},"id":11670,"links":{}}