TY - GEN
T1 - Multiscale scientific workflows on high-performance hybrid cloud
AU - Elisseev, Vadim
AU - Manson-Sawko, Robert
AU - Pena-Monferrer, Carlos
AU - Lupieri, Guido
AU - Seaton, Michael
AU - Boccardo, Gianluca
AU - Handgraaf, Jan Willem
AU - Todorov, Ilian
AU - Marchisio, Daniele
AU - Kowalski, Adam
N1 - Publisher Copyright:
© 2022 IEEE.
PY - 2022
Y1 - 2022
N2 - In this paper, we present an infrastructure for executing multiscale scientific workflows in hybrid cloud environment. We use an end-to-end modelling of mayonnaise production as an example of an industrially relevant problem involving modelling of materials properties and their corresponding processing methods. We present a container image design which allows an integration of alternative simulation services operating at atomistic, mesoscopic and continuum levels. The image allows adjustment at runtime to carry out different multiscale studies following diverse parallel execution patterns. We then discuss a prototype of the on-demand high-performance computing (HPC) facility implemented on two variants of the virtualized infrastructure to handle these workflows in the context of hybrid cloud deployments.
AB - In this paper, we present an infrastructure for executing multiscale scientific workflows in hybrid cloud environment. We use an end-to-end modelling of mayonnaise production as an example of an industrially relevant problem involving modelling of materials properties and their corresponding processing methods. We present a container image design which allows an integration of alternative simulation services operating at atomistic, mesoscopic and continuum levels. The image allows adjustment at runtime to carry out different multiscale studies following diverse parallel execution patterns. We then discuss a prototype of the on-demand high-performance computing (HPC) facility implemented on two variants of the virtualized infrastructure to handle these workflows in the context of hybrid cloud deployments.
KW - HPC
KW - cloud
KW - containerization
KW - multiscale
KW - workflows
UR - http://www.scopus.com/inward/record.url?scp=85148545113&partnerID=8YFLogxK
U2 - 10.1109/CANOPIE-HPC56864.2022.00006
DO - 10.1109/CANOPIE-HPC56864.2022.00006
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AN - SCOPUS:85148545113
T3 - Proceedings of CANOPIE-HPC 2022: 4th International Workshop on Containers and New Orchestration Paradigms for Isolated Environments in HPC, Held in conjunction with SC 2022: The International Conference for High Performance Computing, Networking, Storage and Analysis
SP - 1
EP - 11
BT - Proceedings of CANOPIE-HPC 2022
PB - Institute of Electrical and Electronics Engineers Inc.
T2 - 4th IEEE/ACM International Workshop on Containers and New Orchestration Paradigms for Isolated Environments in HPC, CANOPIE-HPC 2022
Y2 - 14 November 2022
ER -