{"created":"2025-01-18T22:55:16.987571+00:00","updated":"2025-01-22T20:05:34.043699+00:00","metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00024041","sets":["1164:1579:1651:1655"]},"path":["1655"],"owner":"1","recid":"24041","title":["超高速分子軌道計算専用機MOEのアーキテクチャ"],"pubdate":{"attribute_name":"公開日","attribute_value":"1996-05-16"},"_buckets":{"deposit":"1aaf188e-95d9-4e11-be48-33b874e28244"},"_deposit":{"id":"24041","pid":{"type":"depid","value":"24041","revision_id":0},"owners":[1],"status":"published","created_by":1},"item_title":"超高速分子軌道計算専用機MOEのアーキテクチャ","author_link":["0","0"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"超高速分子軌道計算専用機MOEのアーキテクチャ"},{"subitem_title":"The Architecture of a Molecular Orbital calculation Engine (MOE)","subitem_title_language":"en"}]},"item_type_id":"4","publish_date":"1996-05-16","item_4_text_3":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"九州大学大学院システム情報科学研究科"},{"subitem_text_value":"九州大学大学院システム情報科学研究科"},{"subitem_text_value":"九州大学大学院システム情報科学研究科"},{"subitem_text_value":"お茶の水女子大学理学部"},{"subitem_text_value":"北海道教育大学釧路校教育学部"},{"subitem_text_value":"島根大学総合理工学部"},{"subitem_text_value":"大正製薬株式会社"},{"subitem_text_value":"大正製薬株式会社"},{"subitem_text_value":"物質工学研究所"}]},"item_4_text_4":{"attribute_name":"著者所属(英)","attribute_value_mlt":[{"subitem_text_value":"Kyushu University","subitem_text_language":"en"},{"subitem_text_value":"Kyushu University","subitem_text_language":"en"},{"subitem_text_value":"Kyushu University","subitem_text_language":"en"},{"subitem_text_value":"Ochanomizu University","subitem_text_language":"en"},{"subitem_text_value":"Hokkaido University of Education","subitem_text_language":"en"},{"subitem_text_value":"Shimane University","subitem_text_language":"en"},{"subitem_text_value":"Taisho Pharmaceutical Co. Ltd.","subitem_text_language":"en"},{"subitem_text_value":"Taisho Pharmaceutical Co. Ltd.","subitem_text_language":"en"},{"subitem_text_value":"National Institute of Materials and Chemical Reactions","subitem_text_language":"en"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_publisher":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"情報処理学会","subitem_publisher_language":"ja"}]},"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/24041/files/IPSJ-ARC96118008.pdf"},"date":[{"dateType":"Available","dateValue":"1998-05-16"}],"format":"application/pdf","billing":["billing_file"],"filename":"IPSJ-ARC96118008.pdf","filesize":[{"value":"499.1 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":"16"},{"tax":["include_tax"],"price":"0","billingrole":"44"}],"accessrole":"open_date","version_id":"f49db7ac-543a-4322-a5ac-611100d62a51","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 1996 by the Information Processing Society of Japan"}]},"item_4_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"白川, 暁"},{"creatorName":"吉井, 卓"},{"creatorName":"村上, 和彰"},{"creatorName":"長嶋, 雲兵"},{"creatorName":"小原, 繁"},{"creatorName":"網崎, 孝志"},{"creatorName":"北村, 一泰"},{"creatorName":"高島, 一"},{"creatorName":"田辺, 和俊"}],"nameIdentifiers":[{}]}]},"item_4_creator_6":{"attribute_name":"著者名(英)","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Satoru, Shirakawa","creatorNameLang":"en"},{"creatorName":"Takashi, Yoshii","creatorNameLang":"en"},{"creatorName":"Kazuaki, Murakami","creatorNameLang":"en"},{"creatorName":"Umpei, Nagashima","creatorNameLang":"en"},{"creatorName":"Shigeru, Obara","creatorNameLang":"en"},{"creatorName":"Takashi, Amisaki","creatorNameLang":"en"},{"creatorName":"Kunihiro, Kitamura","creatorNameLang":"en"},{"creatorName":"Hajime, Takashima","creatorNameLang":"en"},{"creatorName":"Kazutoshi, Tanabe","creatorNameLang":"en"}],"nameIdentifiers":[{}]}]},"item_4_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AN10096105","subitem_source_identifier_type":"NCID"}]},"item_4_textarea_12":{"attribute_name":"Notice","attribute_value_mlt":[{"subitem_textarea_value":"SIG Technical Reports are nonrefereed and hence may later appear in any journals, conferences, symposia, etc."}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourceuri":"http://purl.org/coar/resource_type/c_18gh","resourcetype":"technical report"}]},"item_4_description_7":{"attribute_name":"論文抄録","attribute_value_mlt":[{"subitem_description":"筆者らは，非経験的分子軌道計算を高速に行うことを目的として，超高速分子軌道計算専用機MOEの開発を行っている．MOEでは2電子積分値の独立性を利用して，これを並列実行することで高速化を図る．本論文では，MOEのアーキテクチャについて議論している．アーキテクチャ策定に際して，)並列化方式および)積和表生成方式について検討を行った．並列化方式としては，演算量が問題サイズnに対してn^4あることから，n，n^2，n^3，n^4の4通りの並列化が可能である．これら各並列化方式の価格対性能比を評価した結果，n並列化を採用している．また，積和表生成方式については，各PEで自律的にこれを生成する方式を採用した．さらに，本稿では，策定したアーキテクチャ，特に積和演算の部分について述べている．","subitem_description_type":"Other"}]},"item_4_description_8":{"attribute_name":"論文抄録(英)","attribute_value_mlt":[{"subitem_description":"The authors are developing a high-performance, special-purpose parallel machine for Molecular Orbital (MO) calculations, called MOE (Molecular Orbital calculation Engine). The sequential execution time is O(n^4) where n is the number of basis functions, and most of the time is spent to the calculations of two-electron integrals. The calculations of two-electron integrals have a lot of parallelism of O(n^4), and therefore the MOE tries to exploit the parallelism. This paper discusses the MOE architecture and examines two important aspects of architecture design: 1) how to exploit the parallelism, and 2) how to create a data structure, called LABEL, which is required to calculate two-electron integrals according to Obara's algorithm. The authors conclude that a n-way parallelization is the most cost-effective although there are lots of parallelism of O(n^4). They also conclude that an MIMD operation is adequate to the creation of LABEL. The paper further describes the MOE architecture in detail.","subitem_description_type":"Other"}]},"item_4_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"50","bibliographic_titles":[{"bibliographic_title":"情報処理学会研究報告計算機アーキテクチャ（ARC）"}],"bibliographicPageStart":"45","bibliographicIssueDates":{"bibliographicIssueDate":"1996-05-16","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"39(1996-ARC-118)","bibliographicVolumeNumber":"1996"}]},"relation_version_is_last":true,"weko_creator_id":"1"},"id":24041,"links":{}}