TY - JOUR
T1 - Design considerations for workflow management systems use in production genomics research and the clinic
AU - Ahmed, Azza E.
AU - Allen, Joshua M.
AU - Bhat, Tajesvi
AU - Burra, Prakruthi
AU - Fliege, Christina E.
AU - Hart, Steven N.
AU - Heldenbrand, Jacob R.
AU - Hudson, Matthew E.
AU - Istanto, Dave Deandre
AU - Kalmbach, Michael T.
AU - Kapraun, Gregory D.
AU - Kendig, Katherine I.
AU - Kendzior, Matthew Charles
AU - Klee, Eric W.
AU - Mattson, Nate
AU - Ross, Christian A.
AU - Sharif, Sami M.
AU - Venkatakrishnan, Ramshankar
AU - Fadlelmola, Faisal M.
AU - Mainzer, Liudmila S.
N1 - Funding Information:
This work was a product of the Mayo Clinic and Illinois Alliance for Technology-Based Healthcare. Special thanks for the funding provided by the Mayo Clinic Center for Individualized Medicine and the Todd and Karen Wanek Program for Hypoplastic Left Heart Syndrome. We also thank the Interdisciplinary Health Sciences Institute, the Carl R. Woese Institute for Genomic Biology and the National Center for Supercomputing Applications for their generous support and access to resources. We particularly acknowledge the support of Keith Stewart, M.B., Ch.B., Mayo Clinic/Illinois Grand Challenge Sponsor and Director of the Mayo Clinic Center for Individualized Medicine. Special gratitude to Gay Reed and Amy Weckle for managing the project. Many thanks to the Biocluster team for their consultation and advice during the deployment of our workflows on their machine. Thanks also to the UIUC AWS infrastructure, and the AWS Research Credits Award for supporting this work. Finally we are grateful for the support of H3ABioNet, funded by the National Institutes of Health Common Fund under Grant Number U41HG006941.
Publisher Copyright:
© 2021, The Author(s).
PY - 2021/12
Y1 - 2021/12
N2 - The changing landscape of genomics research and clinical practice has created a need for computational pipelines capable of efficiently orchestrating complex analysis stages while handling large volumes of data across heterogeneous computational environments. Workflow Management Systems (WfMSs) are the software components employed to fill this gap. This work provides an approach and systematic evaluation of key features of popular bioinformatics WfMSs in use today: Nextflow, CWL, and WDL and some of their executors, along with Swift/T, a workflow manager commonly used in high-scale physics applications. We employed two use cases: a variant-calling genomic pipeline and a scalability-testing framework, where both were run locally, on an HPC cluster, and in the cloud. This allowed for evaluation of those four WfMSs in terms of language expressiveness, modularity, scalability, robustness, reproducibility, interoperability, ease of development, along with adoption and usage in research labs and healthcare settings. This article is trying to answer, which WfMS should be chosen for a given bioinformatics application regardless of analysis type?. The choice of a given WfMS is a function of both its intrinsic language and engine features. Within bioinformatics, where analysts are a mix of dry and wet lab scientists, the choice is also governed by collaborations and adoption within large consortia and technical support provided by the WfMS team/community. As the community and its needs continue to evolve along with computational infrastructure, WfMSs will also evolve, especially those with permissive licenses that allow commercial use. In much the same way as the dataflow paradigm and containerization are now well understood to be very useful in bioinformatics applications, we will continue to see innovations of tools and utilities for other purposes, like big data technologies, interoperability, and provenance.
AB - The changing landscape of genomics research and clinical practice has created a need for computational pipelines capable of efficiently orchestrating complex analysis stages while handling large volumes of data across heterogeneous computational environments. Workflow Management Systems (WfMSs) are the software components employed to fill this gap. This work provides an approach and systematic evaluation of key features of popular bioinformatics WfMSs in use today: Nextflow, CWL, and WDL and some of their executors, along with Swift/T, a workflow manager commonly used in high-scale physics applications. We employed two use cases: a variant-calling genomic pipeline and a scalability-testing framework, where both were run locally, on an HPC cluster, and in the cloud. This allowed for evaluation of those four WfMSs in terms of language expressiveness, modularity, scalability, robustness, reproducibility, interoperability, ease of development, along with adoption and usage in research labs and healthcare settings. This article is trying to answer, which WfMS should be chosen for a given bioinformatics application regardless of analysis type?. The choice of a given WfMS is a function of both its intrinsic language and engine features. Within bioinformatics, where analysts are a mix of dry and wet lab scientists, the choice is also governed by collaborations and adoption within large consortia and technical support provided by the WfMS team/community. As the community and its needs continue to evolve along with computational infrastructure, WfMSs will also evolve, especially those with permissive licenses that allow commercial use. In much the same way as the dataflow paradigm and containerization are now well understood to be very useful in bioinformatics applications, we will continue to see innovations of tools and utilities for other purposes, like big data technologies, interoperability, and provenance.
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U2 - 10.1038/s41598-021-99288-8
DO - 10.1038/s41598-021-99288-8
M3 - Article
C2 - 34737383
AN - SCOPUS:85118666892
SN - 2045-2322
VL - 11
JO - Scientific reports
JF - Scientific reports
IS - 1
M1 - 21680
ER -