{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,30]],"date-time":"2026-01-30T05:38:23Z","timestamp":1769751503616,"version":"3.49.0"},"publisher-location":"New York, NY, USA","reference-count":27,"publisher":"ACM","license":[{"start":{"date-parts":[[2024,8,12]],"date-time":"2024-08-12T00:00:00Z","timestamp":1723420800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["dl.acm.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2024,8,12]]},"DOI":"10.1145\/3673038.3673097","type":"proceedings-article","created":{"date-parts":[[2024,8,8]],"date-time":"2024-08-08T18:29:01Z","timestamp":1723141741000},"page":"1082-1091","update-policy":"https:\/\/doi.org\/10.1145\/crossmark-policy","source":"Crossref","is-referenced-by-count":3,"title":["Improving Performance on Replica-Exchange Molecular Dynamics Simulations by Optimizing GPU Core Utilization"],"prefix":"10.1145","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8730-2228","authenticated-orcid":false,"given":"Taisuke","family":"Boku","sequence":"first","affiliation":[{"name":"University of Tsukuba, Japan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6298-4055","authenticated-orcid":false,"given":"Masatake","family":"Sugita","sequence":"additional","affiliation":[{"name":"Ahead Biocomputing, Co. Ltd., Japan and Tokyo Institute of Technology, Japan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2175-9828","authenticated-orcid":false,"given":"Ryohei","family":"Kobayashi","sequence":"additional","affiliation":[{"name":"University of Tsukuba, Japan"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-0044-6907","authenticated-orcid":false,"given":"Shinnosuke","family":"Furuya","sequence":"additional","affiliation":[{"name":"NVIDIA, Japan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2103-6195","authenticated-orcid":false,"given":"Takuya","family":"Fujie","sequence":"additional","affiliation":[{"name":"Ahead Biocomputing, Co. Ltd., Japan and Tokyo Institute of Technology, Japan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0120-1643","authenticated-orcid":false,"given":"Masahito","family":"Ohue","sequence":"additional","affiliation":[{"name":"Ahead Biocomputing, Co. Ltd., Japan and Tokyo Institute of Technology, Japan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2863-8703","authenticated-orcid":false,"given":"Yutaka","family":"Akiyama","sequence":"additional","affiliation":[{"name":"Ahead Biocomputing, Co. Ltd., Japan and Tokyo Institute of Technology, Japan"}]}],"member":"320","published-online":{"date-parts":[[2024,8,12]]},"reference":[{"key":"e_1_3_2_1_1_1","unstructured":"[n. d.]. BLAS (Basic Linear Algebra Subprograms). https:\/\/www.netlib.org\/blas\/"},{"key":"e_1_3_2_1_2_1","volume-title":"MOE2019","unstructured":"[n. d.]. MOE2019. https:\/\/www.chemcomp.com\/Products.htm"},{"key":"e_1_3_2_1_3_1","doi-asserted-by":"publisher","DOI":"10.1147\/JRD.2018.2888986"},{"key":"e_1_3_2_1_4_1","doi-asserted-by":"publisher","DOI":"10.1109\/IPDPS.2019.00035"},{"key":"e_1_3_2_1_5_1","doi-asserted-by":"publisher","DOI":"10.1109\/HiPC56025.2022.00017"},{"key":"e_1_3_2_1_6_1","doi-asserted-by":"publisher","DOI":"10.1145\/3581784.3607089"},{"key":"e_1_3_2_1_7_1","doi-asserted-by":"publisher","DOI":"10.1145\/3547276.3548629"},{"key":"e_1_3_2_1_8_1","unstructured":"D.A. Case H.M. Aktulga K. Belfon I.Y. Ben-Shalom J.T. Berryman S.R. Brozell D.S. Cerutti III T.E.\u00a0Cheatham G.A. Cisneros V.W.D. Cruzeiro T.A. Darden N. Forouzesh G. Giamba\u015fu T. Giese M.K. Gilson H. Gohlke A.W. Goetz J. Harris S. Izadi S.A. Izmailov K. Kasavajhala M.C. Kaymak E. King A. Kovalenko T. Kurtzman T.S. Lee P. Li C. Lin J. Liu T. Luchko R. Luo M. Machado V. Man M. Manathunga K.M. Merz Y. Miao O. Mikhailovskii G. Monard H. Nguyen K.A. O\u2019Hearn A. Onufriev F. Pan S. Pantano R. Qi A. Rahnamoun D.R. Roe A. Roitberg C. Sagui S. Schott-Verdugo A. Shajan J. Shen C.L. Simmerling N.R. Skrynnikov J. Smith J. Swails R.C. Walker J. Wang J. Wang H. Wei X. Wu Y. Wu Y. Xiong Y. Xue D.M. York S. Zhao Q. Zhu and P.A. Kollman. [n. d.]. AMBER22. https:\/\/ambermd.org\/index.php"},{"key":"e_1_3_2_1_9_1","unstructured":"D.\u00a0A. Case K. Belfon I.\u00a0Y. Ben-Shalom S.\u00a0R. Brozell D.\u00a0S. Cerutti I. Cheatham T.\u00a0E. V.\u00a0W.\u00a0D. Cruzeiro T.\u00a0A. Darden R.\u00a0E. Duke G. Giambasu M.\u00a0K. Gilson H. Gohlke A.\u00a0W. Goetz R. Harris S. Izadi S.\u00a0A. Izmailov K. Kasavajhala A. Kovalenko R. Krasny T. Kurtzman T.\u00a0S. Lee S. LeGrand P. Li C. Lin J. Liu T. Luchkov R. Luo V. Man K.\u00a0M. Merz Y. Miao O. Mikhailovskii G. Monard H. Nguyen A. Onufriev F. Pan S. Pantano R. Qi D.\u00a0R. Roe A. Roitberg C. Sagui S. Schott-Verdugo J. Shen C.\u00a0L. Simmerling N.\u00a0R. Skrynnikov J. Smith J. Swails R.\u00a0C. Walker J. Wang L. Wilson R.\u00a0M. Wolf X. Wu Y. Xiong Y. Xue D.\u00a0M. York and P.\u00a0A. Kollman. [n. d.]. AMBER20. https:\/\/ambermd.org\/index.php"},{"key":"e_1_3_2_1_10_1","volume-title":"Euge: Effective Utilization of GPU Resources for Serving DNN-Based Video Analysis","author":"Chen Qihang","year":"2020","unstructured":"Qihang Chen, Guangyao Ding, Chen Xu, Weining Qian, and Aoying Zhou. 2020. Euge: Effective Utilization of GPU Resources for Serving DNN-Based Video Analysis. In Web and Big Data, Xin Wang, Rui Zhang, Young-Koo Lee, Le\u00a0Sun, and Yang-Sae Moon (Eds.). Springer International Publishing, Cham, 523\u2013528."},{"key":"e_1_3_2_1_11_1","doi-asserted-by":"publisher","DOI":"10.1145\/3419111.3421284"},{"key":"e_1_3_2_1_12_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.9b00008"},{"key":"e_1_3_2_1_13_1","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202004550"},{"key":"e_1_3_2_1_14_1","doi-asserted-by":"publisher","DOI":"10.1109\/RTAS.2019.00011"},{"key":"e_1_3_2_1_15_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"e_1_3_2_1_16_1","unstructured":"Hans Meuer Erich Strohmaier Jack Dongarra Horst Simon and Martin Meuer. 2023. 62th Edition of the TOP500 List. https:\/\/top500.org"},{"key":"e_1_3_2_1_17_1","unstructured":"NVIDIA. 2024. NVIDIA Multi-Instance GPU. https:\/\/docs.nvidia.com\/datacenter\/tesla\/mig-user-guide\/"},{"key":"e_1_3_2_1_18_1","unstructured":"NVIDIA. 2024. NVIDIA Multi-Process Service. https:\/\/docs.nvidia.com\/deploy\/mps\/"},{"key":"e_1_3_2_1_19_1","unstructured":"NVIDIA. 2024. NVIDIA Nsight Systems. https:\/\/developer.nvidia.com\/nsight-systems"},{"key":"e_1_3_2_1_20_1","doi-asserted-by":"publisher","DOI":"10.1063\/5.0018516"},{"key":"e_1_3_2_1_21_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00900"},{"key":"e_1_3_2_1_22_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.2c00931"},{"key":"e_1_3_2_1_23_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1308516"},{"key":"e_1_3_2_1_24_1","doi-asserted-by":"publisher","DOI":"10.1158\/2159-8290.CD-23-0944"},{"key":"e_1_3_2_1_25_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp204407d"},{"key":"e_1_3_2_1_26_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja512751q"},{"key":"e_1_3_2_1_27_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cbpa.2017.02.006"}],"event":{"name":"ICPP '24: the 53rd International Conference on Parallel Processing","location":"Gotland Sweden","acronym":"ICPP '24"},"container-title":["Proceedings of the 53rd International Conference on Parallel Processing"],"original-title":[],"link":[{"URL":"https:\/\/dl.acm.org\/doi\/10.1145\/3673038.3673097","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/dl.acm.org\/doi\/pdf\/10.1145\/3673038.3673097","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,9,23]],"date-time":"2025-09-23T17:31:15Z","timestamp":1758648675000},"score":1,"resource":{"primary":{"URL":"https:\/\/dl.acm.org\/doi\/10.1145\/3673038.3673097"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,8,12]]},"references-count":27,"alternative-id":["10.1145\/3673038.3673097","10.1145\/3673038"],"URL":"https:\/\/doi.org\/10.1145\/3673038.3673097","relation":{},"subject":[],"published":{"date-parts":[[2024,8,12]]},"assertion":[{"value":"2024-08-12","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}