{"id":"https://openalex.org/W3142513090","doi":"https://doi.org/10.1109/sc.2008.5214713","title":"369 Tflop/s molecular dynamics simulations on the Roadrunner general-purpose heterogeneous supercomputer","display_name":"369 Tflop/s molecular dynamics simulations on the Roadrunner general-purpose heterogeneous supercomputer","publication_year":2008,"publication_date":"2008-11-01","ids":{"openalex":"https://openalex.org/W3142513090","doi":"https://doi.org/10.1109/sc.2008.5214713","mag":"3142513090"},"language":"en","primary_location":{"id":"doi:10.1109/sc.2008.5214713","is_oa":false,"landing_page_url":"https://doi.org/10.1109/sc.2008.5214713","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2008 SC - International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.osti.gov/servlets/purl/964971","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5034862374","display_name":"Sriram Swaminarayan","orcid":"https://orcid.org/0000-0003-1809-5231"},"institutions":[{"id":"https://openalex.org/I1343871089","display_name":"Los Alamos National Laboratory","ror":"https://ror.org/01e41cf67","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I1343871089","https://openalex.org/I198811213","https://openalex.org/I4210120050"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Sriram Swaminarayan","raw_affiliation_strings":["Los Alamos National Laboratory, Los Alamos, NM, USA"],"affiliations":[{"raw_affiliation_string":"Los Alamos National Laboratory, Los Alamos, NM, USA","institution_ids":["https://openalex.org/I1343871089"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003104055","display_name":"Timothy C. Germann","orcid":"https://orcid.org/0000-0002-6813-238X"},"institutions":[{"id":"https://openalex.org/I1343871089","display_name":"Los Alamos National Laboratory","ror":"https://ror.org/01e41cf67","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I1343871089","https://openalex.org/I198811213","https://openalex.org/I4210120050"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Timothy C. Germann","raw_affiliation_strings":["Los Alamos National Laboratory, Los Alamos, NM, USA"],"affiliations":[{"raw_affiliation_string":"Los Alamos National Laboratory, Los Alamos, NM, USA","institution_ids":["https://openalex.org/I1343871089"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062044827","display_name":"Kai Kadau","orcid":null},"institutions":[{"id":"https://openalex.org/I1343871089","display_name":"Los Alamos National Laboratory","ror":"https://ror.org/01e41cf67","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I1343871089","https://openalex.org/I198811213","https://openalex.org/I4210120050"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kai Kadau","raw_affiliation_strings":["Los Alamos National Laboratory, Los Alamos, NM, USA"],"affiliations":[{"raw_affiliation_string":"Los Alamos National Laboratory, Los Alamos, NM, USA","institution_ids":["https://openalex.org/I1343871089"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5056509073","display_name":"Gordon C. Fossum","orcid":null},"institutions":[{"id":"https://openalex.org/I4210156936","display_name":"IBM Research - Austin","ror":"https://ror.org/05gjbbg60","country_code":"US","type":"facility","lineage":["https://openalex.org/I1341412227","https://openalex.org/I4210114115","https://openalex.org/I4210156936"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Gordon C. Fossum","raw_affiliation_strings":["IBM, Corporation, Austin, TX, USA"],"affiliations":[{"raw_affiliation_string":"IBM, Corporation, Austin, TX, USA","institution_ids":["https://openalex.org/I4210156936"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5034862374"],"corresponding_institution_ids":["https://openalex.org/I1343871089"],"apc_list":null,"apc_paid":null,"fwci":1.7268,"has_fulltext":true,"cited_by_count":10,"citation_normalized_percentile":{"value":0.8743673,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"104","issue":null,"first_page":"1","last_page":"10"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1708","display_name":"Hardware and Architecture"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10054","display_name":"Parallel Computing and Optimization Techniques","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1708","display_name":"Hardware and Architecture"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11181","display_name":"Advanced Data Storage Technologies","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1705","display_name":"Computer Networks and Communications"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11382","display_name":"Fluid Dynamics and Heat Transfer","score":0.9958000183105469,"subfield":{"id":"https://openalex.org/subfields/2206","display_name":"Computational Mechanics"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/supercomputer","display_name":"Supercomputer","score":0.9100521802902222},{"id":"https://openalex.org/keywords/flops","display_name":"FLOPS","score":0.6901900768280029},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.6895381808280945},{"id":"https://openalex.org/keywords/benchmark","display_name":"Benchmark (surveying)","score":0.6855112314224243},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6790884733200073},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.5200040936470032},{"id":"https://openalex.org/keywords/floating-point","display_name":"Floating point","score":0.5177761316299438},{"id":"https://openalex.org/keywords/node","display_name":"Node (physics)","score":0.4361189007759094},{"id":"https://openalex.org/keywords/double-precision-floating-point-format","display_name":"Double-precision floating-point format","score":0.43174633383750916},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.36345094442367554},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.16816917061805725}],"concepts":[{"id":"https://openalex.org/C83283714","wikidata":"https://www.wikidata.org/wiki/Q121117","display_name":"Supercomputer","level":2,"score":0.9100521802902222},{"id":"https://openalex.org/C3826847","wikidata":"https://www.wikidata.org/wiki/Q188768","display_name":"FLOPS","level":2,"score":0.6901900768280029},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.6895381808280945},{"id":"https://openalex.org/C185798385","wikidata":"https://www.wikidata.org/wiki/Q1161707","display_name":"Benchmark (surveying)","level":2,"score":0.6855112314224243},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6790884733200073},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.5200040936470032},{"id":"https://openalex.org/C84211073","wikidata":"https://www.wikidata.org/wiki/Q117879","display_name":"Floating point","level":2,"score":0.5177761316299438},{"id":"https://openalex.org/C62611344","wikidata":"https://www.wikidata.org/wiki/Q1062658","display_name":"Node (physics)","level":2,"score":0.4361189007759094},{"id":"https://openalex.org/C35912277","wikidata":"https://www.wikidata.org/wiki/Q1243369","display_name":"Double-precision floating-point format","level":3,"score":0.43174633383750916},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.36345094442367554},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.16816917061805725},{"id":"https://openalex.org/C13280743","wikidata":"https://www.wikidata.org/wiki/Q131089","display_name":"Geodesy","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C205649164","wikidata":"https://www.wikidata.org/wiki/Q1071","display_name":"Geography","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1109/sc.2008.5214713","is_oa":false,"landing_page_url":"https://doi.org/10.1109/sc.2008.5214713","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2008 SC - International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"},{"id":"pmh:oai:osti.gov:964971","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/964971","pdf_url":"https://www.osti.gov/servlets/purl/964971","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":{"id":"pmh:oai:osti.gov:964971","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/964971","pdf_url":"https://www.osti.gov/servlets/purl/964971","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1872210597","display_name":null,"funder_award_id":"DE-AC52-06NA2539","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G2031045238","display_name":null,"funder_award_id":"DE-AC52-06NA253","funder_id":"https://openalex.org/F4320338304","funder_display_name":"Los Alamos National Laboratory"},{"id":"https://openalex.org/G359075050","display_name":null,"funder_award_id":"DE-AC52-06NA25396","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G3700687868","display_name":null,"funder_award_id":"AC52-06NA25396","funder_id":"https://openalex.org/F4320338304","funder_display_name":"Los Alamos National Laboratory"},{"id":"https://openalex.org/G5657628048","display_name":null,"funder_award_id":"AC52-06NA25396","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G75892134","display_name":null,"funder_award_id":"DE-AC52-06NA25396","funder_id":"https://openalex.org/F4320338304","funder_display_name":"Los Alamos National Laboratory"},{"id":"https://openalex.org/G8527529014","display_name":null,"funder_award_id":"DE-AC52-06NA2539","funder_id":"https://openalex.org/F4320338304","funder_display_name":"Los Alamos National Laboratory"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320338304","display_name":"Los Alamos National Laboratory","ror":"https://ror.org/01e41cf67"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3142513090.pdf","grobid_xml":"https://content.openalex.org/works/W3142513090.grobid-xml"},"referenced_works_count":24,"referenced_works":["https://openalex.org/W1971658288","https://openalex.org/W1973873107","https://openalex.org/W1996849337","https://openalex.org/W1997735430","https://openalex.org/W2004543605","https://openalex.org/W2027053193","https://openalex.org/W2039474689","https://openalex.org/W2041185413","https://openalex.org/W2048802989","https://openalex.org/W2064187515","https://openalex.org/W2073289615","https://openalex.org/W2075358612","https://openalex.org/W2083303664","https://openalex.org/W2084800760","https://openalex.org/W2104797970","https://openalex.org/W2138376372","https://openalex.org/W2142240784","https://openalex.org/W2159161022","https://openalex.org/W3042578130","https://openalex.org/W3149078497","https://openalex.org/W4234347480","https://openalex.org/W4242241704","https://openalex.org/W6649760400","https://openalex.org/W6679513994"],"related_works":["https://openalex.org/W1855765675","https://openalex.org/W3046859795","https://openalex.org/W1505902692","https://openalex.org/W111037196","https://openalex.org/W3215589575","https://openalex.org/W3150959508","https://openalex.org/W4297795876","https://openalex.org/W1571090276","https://openalex.org/W1861262881","https://openalex.org/W2156524298"],"abstract_inverted_index":{"We":[0,134],"present":[1],"timing":[2],"and":[3,35,55,70,83,89,142],"performance":[4,93,114],"numbers":[5],"for":[6,19,95],"a":[7,100,107,128,147],"short-range":[8],"parallel":[9],"molecular":[10],"dynamics":[11],"(MD)":[12],"code,":[13],"SPaSM,":[14],"that":[15,43],"has":[16],"been":[17],"rewritten":[18],"the":[20,64,75,116,140],"heterogeneous":[21],"Roadrunner":[22,25,118],"supercomputer.":[23],"Each":[24],"compute":[26],"node":[27],"consists":[28],"of":[29,99,109,121,130,144],"two":[30],"AMD":[31],"Opteron":[32,54],"dualcore":[33],"microprocessors":[34],"four":[36,46],"PowerXCell":[37],"8i":[38],"enhanced":[39],"Cell":[40],"microprocessors,":[41],"so":[42],"there":[44],"are":[45,61,77],"MPI":[47],"ranks":[48],"per":[49],"node,":[50],"each":[51],"with":[52,67],"one":[53,56,68],"Cell.":[57],"The":[58,92],"interatomic":[59],"forces":[60],"computed":[62],"on":[63,115],"Cells":[65],"(each":[66],"PPU":[69],"eight":[71],"SPU":[72],"cores),":[73],"while":[74],"Opterons":[76],"used":[78],"to":[79,124],"direct":[80],"inter-rank":[81],"communication":[82],"perform":[84],"I/O-heavy":[85],"periodic":[86],"analysis,":[87],"visualization,":[88],"checkpointing":[90],"tasks.":[91],"measured":[94],"our":[96],"initial":[97,137],"implementation":[98],"standard":[101],"Lennard-Jones":[102],"pair":[103],"potential":[104],"benchmark":[105],"reached":[106],"peak":[108],"369":[110],"Tflop/s":[111],"double-precision":[112],"floating-point":[113],"full":[117],"system":[119],"(27.7%":[120],"peak),":[122],"corresponding":[123],"124":[125],"MFlop/Watt/s":[126],"at":[127],"price":[129],"approximately":[131],"3.69":[132],"MFlops/dollar.":[133],"demonstrate":[135],"an":[136],"target":[138],"application,":[139],"jetting":[141],"ejection":[143],"material":[145],"from":[146],"shocked":[148],"surface.":[149]},"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-04-21T08:09:41.155169","created_date":"2025-10-10T00:00:00"}
