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However, the fundamentals behind containerization and actual benefits of containers in scientific computing remain largely unclear to a vast majority of users. In fact, there is a significant gap between simplistic “Hello world” examples found online and real scientific applications. Also, rumors suggest that achieving satisfactory performances on supercomputers across multiple nodes is impossible. The aim of this paper is to explain how containers can leverage the potential of high-speed networks for inter-node communications with UCX on Fram and Betzy (from the Norwegian national e-infrastructure provider). It is also shown how to achieve near-native performance on LUMI (EuroHPC’s flagship) despite a “Slingshot-11” interconnect and proprietary library. Results obtained in the standard OSU Micro-Benchmarks tests for latency and bandwidth, and with a fully-fledged climate model, demonstrate that containerized applications work just as well as their bare-metal counterparts, are portable and provide bit-for-bit reproducibility on different platforms. Containers are therefore highly recommended to minimize deployment and porting issues i) for AaaS (Applications as a Service) coming with all the necessary software environment (rather than source code only); and ii) so that HPC users do not have to rely on anybody to install what they need and can be operational within minutes whilst still getting top performance. https://doi.org/10.1007/978-3-031-86240-3_4 http://schema.org/license https://creativecommons.org/licenses/by/4.0/legalcode https://doi.org/10.1007/978-3-031-86240-3_4 http://schema.org/name Unlocking the Potential of Containers in Scientific Computing to Achieve Bitwise Reproducibility, Portability and Performance https://doi.org/10.1007/978-3-031-86240-3_4 http://schema.org/sdDatePublished 2025-04-21 11:20:47.343711+00:00 https://doi.org/10.1007/978-3-031-86240-3_4 http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/wf4ever#Resource https://doi.org/10.1007/978-3-031-86240-3_4 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(2025). Unlocking the Potential of Containers in Scientific Computing to Achieve Bitwise Reproducibility, Portability and Performance. In: Azab, A., Malkiewicz, T. (eds) Nordic e-Infrastructure Tomorrow. NeIC 2024. Communications in Computer and Information Science, vol 2398. 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https://w3id.org/ro-id/enrichment/fac21f48-a69f-431d-9d7e-5a1893d016fd https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/ http://w3id.org/ro-id/rohub/model#enrichmentSubject https://w3id.org/ro-id/enrichment/fbd924fb-9656-4045-b713-89461eefe0e4 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/ http://w3id.org/ro-id/rohub/model#enrichmentSubject https://w3id.org/ro-id/enrichment/fd041dfe-6fcc-433a-9c07-0542a70cdd82 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/ http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/ro#ResearchObject https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/ http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/roevo#LiveRO https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/ http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://schema.org/Dataset https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/ http://www.w3.org/1999/02/22-rdf-syntax-ns#type https://w3id.org/ro/terms/earth-science#BibliographyResearchObject https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/ https://w3id.org/ro/terms/earth-science#template https://w3id.org/ro/terms/earth-science#BibliographyCentricResearchObjectTemplate https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/ https://www.w3.org/ns/iana/link-relations/relation#cite-as Fouilloux, Anne, and Jean Iaquinta. "Unlocking the Potential of Containers in Scientific Computing to Achieve Bitwise Reproducibility, Portability and Performance." ROHub. Apr 21 ,2025. https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf. https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/3305e51c-33ff-4259-9a33-35e2bf4a385e http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://w3id.org/ro-id/rohub/model#community https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/5dc5cac2-af40-4ad8-aed5-84b9ce73e3e7 http://schema.org/description This folder contains the monthly reports https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/5dc5cac2-af40-4ad8-aed5-84b9ce73e3e7 http://schema.org/hasPart https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/e3285701-7b53-4c4a-aeb5-0fafab0fa31c https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/5dc5cac2-af40-4ad8-aed5-84b9ce73e3e7 http://schema.org/name monthly_reports https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/5dc5cac2-af40-4ad8-aed5-84b9ce73e3e7 http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/wf4ever#Folder https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/5dc5cac2-af40-4ad8-aed5-84b9ce73e3e7 http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://schema.org/Dataset https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/de0e7ad3-4e25-458b-b1ab-1889aaa4553c http://schema.org/description Folder containing the generated papers. The papers were generated by ChatGPT or other LLMs. All the generated documents used free plan e.g. the documents were generated at no cost. https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/de0e7ad3-4e25-458b-b1ab-1889aaa4553c http://schema.org/hasPart https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/de0e7ad3-4e25-458b-b1ab-1889aaa4553c http://schema.org/hasPart https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/12d48518-fe23-4a16-bf0d-1219e0c8fc47 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/de0e7ad3-4e25-458b-b1ab-1889aaa4553c http://schema.org/name output https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/de0e7ad3-4e25-458b-b1ab-1889aaa4553c http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/wf4ever#Folder https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/de0e7ad3-4e25-458b-b1ab-1889aaa4553c http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://schema.org/Dataset https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/e8791084-7dcc-4d4c-a5f3-03e9de7b2939 http://schema.org/hasPart https://doi.org/10.1007/978-3-031-86240-3_4 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/e8791084-7dcc-4d4c-a5f3-03e9de7b2939 http://schema.org/hasPart https://w3id.org/ro-id/18d3e6d6-e559-4e43-b464-55275bd14708 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/e8791084-7dcc-4d4c-a5f3-03e9de7b2939 http://schema.org/name biblio https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/e8791084-7dcc-4d4c-a5f3-03e9de7b2939 http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/wf4ever#Folder https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/folders/e8791084-7dcc-4d4c-a5f3-03e9de7b2939 http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://schema.org/Dataset https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://purl.org/wf4ever/wfdesc#hasInput https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/f543881f-497b-486b-a12f-1652ddd76411 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/author https://orcid.org/0000-0002-1784-2920 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/contentSize 127388 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/contentUrl https://api.rohub.org/api/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae/download/ https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/creator https://orcid.org/0000-0002-1784-2920 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/dateCreated 2025-04-21 11:35:21.511086+00:00 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/dateModified 2025-10-14 08:35:37.408518+00:00 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/description Version 1.0: We gave to GPT-4.1mini (free version) all the AIDA sentences generated for the paper 10.1007_978-3-031-86240-3_4 and asked to rewrite it following the template Abstract, Keywords, Introduction, Background, Discussion, Conclusion, References. We read the generated paper to spot any mistakes and we highlighted inconsistancies in yellow. https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/encodingFormat application/pdf https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/license https://creativecommons.org/licenses/by/4.0/legalcode https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/name 10.1007_978-3-031-86240-3_4_rewritten.pdf https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://schema.org/sdDatePublished 2025-04-21 11:35:21.511086+00:00 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/roterms#Paper https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/wf4ever#Resource https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/06d1ede9-934b-4adf-bb9c-095250a5b0ae http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://schema.org/MediaObject https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/12d48518-fe23-4a16-bf0d-1219e0c8fc47 http://purl.org/wf4ever/wfdesc#hasInput https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/f543881f-497b-486b-a12f-1652ddd76411 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/12d48518-fe23-4a16-bf0d-1219e0c8fc47 http://schema.org/author https://orcid.org/0000-0002-1784-2920 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/12d48518-fe23-4a16-bf0d-1219e0c8fc47 http://schema.org/contentSize 126230 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/12d48518-fe23-4a16-bf0d-1219e0c8fc47 http://schema.org/contentUrl https://api.rohub.org/api/resources/12d48518-fe23-4a16-bf0d-1219e0c8fc47/download/ https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/12d48518-fe23-4a16-bf0d-1219e0c8fc47 http://schema.org/creator https://orcid.org/0000-0002-1784-2920 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/12d48518-fe23-4a16-bf0d-1219e0c8fc47 http://schema.org/dateCreated 2025-04-21 14:55:19.214553+00:00 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/12d48518-fe23-4a16-bf0d-1219e0c8fc47 http://schema.org/dateModified 2025-10-14 08:35:38.247108+00:00 https://w3id.org/ro-id/231a8eab-7612-4b18-b4d1-dd7cf68628cf/resources/12d48518-fe23-4a16-bf0d-1219e0c8fc47 http://schema.org/description Version 2.0 generated by ChatGPT (April 2025, sikt.no). Could you write a scientific paper of 4 pages with the following sections “Abstract, Keywords, Introduction, Background, Discussion, Conclusion, References. ” with a text that needs to be long to be published in a good journal and the paper should be based on the following AIDA sentences that you will need to all references in the text (make sure to add all the AIDA sentences in the text) and add in the reference section. The reference section should list all the AIDA sentences so you need to make sure all of them are referenced in the generated text. ensure all the AIDA sentences are included and referenced properly. 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On LUMI, containers with MPICH . . and OFI swapped Slingshot libraries achieve identical bandwidth to CrayMPICH . a . https://w3id.org/ro-id/enrichment/7a674e9a-64bd-4b42-b867-6a85002ffeaa http://www.w3.org/1999/02/22-rdf-syntax-ns#type https://w3id.org/ro/terms/earth-science#Sentence https://w3id.org/ro-id/enrichment/7a674e9a-64bd-4b42-b867-6a85002ffeaa https://w3id.org/ro/terms/earth-science#normScore 3.698332124728063 https://w3id.org/ro-id/enrichment/7a674e9a-64bd-4b42-b867-6a85002ffeaa https://w3id.org/ro/terms/earth-science#score 5.1 https://w3id.org/ro-id/enrichment/7e396f98-2885-48f6-8191-df5772cd9d12 http://schema.org/name Unlocking the Potential of Containers in Scientific Computing to Achieve Bitwise Reproducibility, Portability and Performance. https://w3id.org/ro-id/enrichment/7e396f98-2885-48f6-8191-df5772cd9d12 http://www.w3.org/1999/02/22-rdf-syntax-ns#type https://w3id.org/ro/terms/earth-science#Sentence https://w3id.org/ro-id/enrichment/7e396f98-2885-48f6-8191-df5772cd9d12 https://w3id.org/ro/terms/earth-science#normScore 30.96446700507614 https://w3id.org/ro-id/enrichment/7e396f98-2885-48f6-8191-df5772cd9d12 https://w3id.org/ro/terms/earth-science#score 42.7 https://w3id.org/ro-id/enrichment/80b3da9f-82f4-4b21-b5bd-1376c79d5779 http://schema.org/name script https://w3id.org/ro-id/enrichment/80b3da9f-82f4-4b21-b5bd-1376c79d5779 http://www.w3.org/1999/02/22-rdf-syntax-ns#type https://w3id.org/ro/terms/earth-science#Concept https://w3id.org/ro-id/enrichment/80b3da9f-82f4-4b21-b5bd-1376c79d5779 https://w3id.org/ro/terms/earth-science#normScore 2.6656511805026653 https://w3id.org/ro-id/enrichment/80b3da9f-82f4-4b21-b5bd-1376c79d5779 https://w3id.org/ro/terms/earth-science#score 7.0 https://w3id.org/ro-id/enrichment/822579e1-61c8-44bb-8671-13cfce1dacda http://schema.org/name LUMI https://w3id.org/ro-id/enrichment/822579e1-61c8-44bb-8671-13cfce1dacda http://www.w3.org/1999/02/22-rdf-syntax-ns#type https://w3id.org/ro/terms/earth-science#Lemma https://w3id.org/ro-id/enrichment/822579e1-61c8-44bb-8671-13cfce1dacda https://w3id.org/ro/terms/earth-science#normScore 6.297709923664122 https://w3id.org/ro-id/enrichment/822579e1-61c8-44bb-8671-13cfce1dacda https://w3id.org/ro/terms/earth-science#score 9.9 https://w3id.org/ro-id/enrichment/8374d58d-a36c-4b03-8344-ad1413debb89 http://schema.org/name Iaquinta, J., Fouilloux, A. (2025). 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