{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,8,2]],"date-time":"2025-08-02T15:03:07Z","timestamp":1754146987250,"version":"3.41.2"},"publisher-location":"New York, NY, USA","reference-count":10,"publisher":"ACM","license":[{"start":{"date-parts":[[2025,7,18]],"date-time":"2025-07-18T00:00:00Z","timestamp":1752796800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/www.acm.org\/publications\/policies\/copyright_policy#Background"}],"funder":[{"DOI":"10.13039\/100000001","name":"NSF (National Science Foundation)","doi-asserted-by":"publisher","award":["2112356"],"award-info":[{"award-number":["2112356"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["dl.acm.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2025,7,20]]},"DOI":"10.1145\/3708035.3736080","type":"proceedings-article","created":{"date-parts":[[2025,7,18]],"date-time":"2025-07-18T12:10:41Z","timestamp":1752840641000},"page":"1-4","update-policy":"https:\/\/doi.org\/10.1145\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Comparison of GPU Performance Scaling for Molecular Dynamics"],"prefix":"10.1145","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1451-0277","authenticated-orcid":false,"given":"Richard","family":"Lawrence","sequence":"first","affiliation":[{"name":"High Performance Research Computing, Texas A&M University, College Station, TX, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0000-6043-5266","authenticated-orcid":false,"given":"James X.","family":"Mao","sequence":"additional","affiliation":[{"name":"High Performance Research Computing, Texas A&M University, College Station, TX, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0002-2942-9014","authenticated-orcid":false,"given":"Honggao","family":"Liu","sequence":"additional","affiliation":[{"name":"High Performance Research Computing, Texas A&M University, College Station, TX, USA"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"320","published-online":{"date-parts":[[2025,7,18]]},"reference":[{"key":"e_1_3_3_2_2_2","doi-asserted-by":"publisher","unstructured":"H.\u00a0J.\u00a0C. Berendsen J.\u00a0R. Grigera and T.\u00a0P. Straatsma. 1987. The missing term in effective pair potentials. The Journal of Physical Chemistry 91 24 (1987) 6269\u20136271. 10.1021\/j100308a038 arXiv:10.1021\/j100308a038","DOI":"10.1021\/j100308a038"},{"key":"e_1_3_3_2_3_2","volume-title":"Data Parallel C++: the oneAPI Implementation of SYCL*","year":"2024","unstructured":"Intel. 2024. Data Parallel C++: the oneAPI Implementation of SYCL*. Retrieved April 2024 from https:\/\/www.intel.com\/content\/www\/us\/en\/developer\/tools\/oneapi\/data-parallel-c-plus-plus.html"},{"key":"e_1_3_3_2_4_2","volume-title":"Supplemental Documents for PEARC25 Proceedings paper N: Molecular Dynamics Scaling on Composable Cyberinfrastructure","author":"Lawrence Richard","year":"2024","unstructured":"Richard Lawrence. 2024. Supplemental Documents for PEARC25 Proceedings paper N: Molecular Dynamics Scaling on Composable Cyberinfrastructure. Texas A&M University. https:\/\/github.com\/rarensu\/pearc25-LAMMPS-supplement"},{"key":"e_1_3_3_2_5_2","doi-asserted-by":"publisher","DOI":"10.1145\/3626203.3670631"},{"key":"e_1_3_3_2_6_2","doi-asserted-by":"publisher","DOI":"10.1145\/3569951.3597556"},{"key":"e_1_3_3_2_7_2","unstructured":"Stan\u00a0Gerald Moore. 2019. LAMMPS KOKKOS Package: The quest for performance portable MD. (8 2019). https:\/\/www.osti.gov\/biblio\/1641575"},{"key":"e_1_3_3_2_8_2","volume-title":"NVIDIA Container Registry: LAMMPS","year":"2023","unstructured":"NVIDIA. 2023. NVIDIA Container Registry: LAMMPS. NVIDIA. https:\/\/catalog.ngc.nvidia.com\/orgs\/hpc\/containers\/lammps \"tag:patch_15Jun2023\"."},{"key":"e_1_3_3_2_9_2","volume-title":"LAMMPS Benchmarks","author":"Plimpton Steve","year":"2016","unstructured":"Steve Plimpton, Aidan Thompson, Stan Moore, Axel Kohlmeyer, and Richard Berger. 2016. LAMMPS Benchmarks. Retrieved April 2023 from https:\/\/www.lammps.org\/bench.html"},{"key":"e_1_3_3_2_10_2","doi-asserted-by":"publisher","unstructured":"Aidan\u00a0P. Thompson H.\u00a0Metin Aktulga Richard Berger Dan\u00a0S. Bolintineanu W.\u00a0Michael Brown Paul\u00a0S. Crozier Pieter\u00a0J. in \u2019t Veld Axel Kohlmeyer Stan\u00a0G. Moore Trung\u00a0Dac Nguyen Ray Shan Mark\u00a0J. Stevens Julien Tranchida Christian Trott and Steven\u00a0J. Plimpton. 2022. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic meso and continuum scales. Computer Physics Communications 271 (2022) 108171. 10.1016\/j.cpc.2021.108171","DOI":"10.1016\/j.cpc.2021.108171"},{"key":"e_1_3_3_2_11_2","doi-asserted-by":"publisher","unstructured":"Christian\u00a0R. Trott Damien Lebrun-Grandi\u00e9 Daniel Arndt Jan Ciesko Vinh Dang Nathan Ellingwood Rahulkumar Gayatri Evan Harvey Daisy\u00a0S. Hollman Dan Ibanez Nevin Liber Jonathan Madsen Jeff Miles David Poliakoff Amy Powell Sivasankaran Rajamanickam Mikael Simberg Dan Sunderland Bruno Turcksin and Jeremiah Wilke. 2022. Kokkos 3: Programming Model Extensions for the Exascale Era. IEEE Transactions on Parallel and Distributed Systems 33 4 (2022) 805\u2013817. 10.1109\/TPDS.2021.3097283","DOI":"10.1109\/TPDS.2021.3097283"}],"event":{"name":"PEARC '25: Practice and Experience in Advanced Research Computing","location":"Columbus Ohio USA","acronym":"PEARC '25","sponsor":["SIGAPP ACM Special Interest Group on Applied Computing","SIGHPC ACM Special Interest Group on High Performance Computing, Special Interest Group on High Performance Computing"]},"container-title":["Practice and Experience in Advanced Research Computing 2025: The Power of Collaboration"],"original-title":[],"link":[{"URL":"https:\/\/dl.acm.org\/doi\/pdf\/10.1145\/3708035.3736080","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/dl.acm.org\/doi\/pdf\/10.1145\/3708035.3736080","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,7,18]],"date-time":"2025-07-18T12:32:16Z","timestamp":1752841936000},"score":1,"resource":{"primary":{"URL":"https:\/\/dl.acm.org\/doi\/10.1145\/3708035.3736080"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,7,18]]},"references-count":10,"alternative-id":["10.1145\/3708035.3736080","10.1145\/3708035"],"URL":"https:\/\/doi.org\/10.1145\/3708035.3736080","relation":{},"subject":[],"published":{"date-parts":[[2025,7,18]]},"assertion":[{"value":"2025-07-18","order":3,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}