Exploring HPC-based scientific software as a service using CometCloud

The use of in-silico simulations in experimental science can greatly increase laboratory efficiency and provide additional insights into interactions not easily described by traditional methods. Such simulations require significant amounts of computational resources, accessible only via supercompute...

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Published in:10th IEEE International Conference on Collaborative Computing: Networking, Applications and Worksharing pp. 35 - 44
Main Authors: AbdelBaky, Moustafa, Diaz-Montes, Javier, Johnston, Michael, Sachdeva, Vipin, Anderson, Richard L., Jordan, Kirk E., Parashar, Manish
Format: Conference Proceeding
Language:English
Published: ICST 01.10.2014
Subjects:
Computational modeling
dissipative particle dymanics
Laboratories
Monitoring
Portals
science as a service
scientific computing
Software as a service
Supercomputers
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Abstract The use of in-silico simulations in experimental science can greatly increase laboratory efficiency and provide additional insights into interactions not easily described by traditional methods. Such simulations require significant amounts of computational resources, accessible only via supercomputers of large-scale high-performance clusters. Due to the complexity of the computational experiments, as well as the usage of the underlying resources, experimental scientists heavily rely on computational scientists with HPC expertise to perform these simulations. This additional bottleneck prevents the widespread adoption of real time in-silico simulation as a driver for laboratory experimentation. In this paper, we aim to overcome this bottleneck by presenting the architecture of an end-to-end framework to enable HPC Software as a Service. This framework is designed to make it easy for scientific applications to run on top of dynamically federated HPC resources. The framework enables HPC resource sharing while maximizing throughput and utilization. We focus specifically on a use case where an experimental scientist uses a mobile portal to control dissipative particle dynamics experiments that are executed on a remote supercomputer (IBM Blue Gene/Q).
AbstractList The use of in-silico simulations in experimental science can greatly increase laboratory efficiency and provide additional insights into interactions not easily described by traditional methods. Such simulations require significant amounts of computational resources, accessible only via supercomputers of large-scale high-performance clusters. Due to the complexity of the computational experiments, as well as the usage of the underlying resources, experimental scientists heavily rely on computational scientists with HPC expertise to perform these simulations. This additional bottleneck prevents the widespread adoption of real time in-silico simulation as a driver for laboratory experimentation. In this paper, we aim to overcome this bottleneck by presenting the architecture of an end-to-end framework to enable HPC Software as a Service. This framework is designed to make it easy for scientific applications to run on top of dynamically federated HPC resources. The framework enables HPC resource sharing while maximizing throughput and utilization. We focus specifically on a use case where an experimental scientist uses a mobile portal to control dissipative particle dynamics experiments that are executed on a remote supercomputer (IBM Blue Gene/Q).
Author Jordan, Kirk E.
Parashar, Manish
Sachdeva, Vipin
Anderson, Richard L.
Diaz-Montes, Javier
Johnston, Michael
AbdelBaky, Moustafa
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  givenname: Moustafa
  surname: AbdelBaky
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  givenname: Javier
  surname: Diaz-Montes
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  givenname: Kirk E.
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  organization: IBM TJ Watson Res. Center, Cambridge, MA, USA
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  givenname: Manish
  surname: Parashar
  fullname: Parashar, Manish
  email: parashar@rutgers.edu
  organization: Rutgers Discovery Inf. Inst. (RDI2), Rutgers Univ., Piscataway, NJ, USA
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Snippet The use of in-silico simulations in experimental science can greatly increase laboratory efficiency and provide additional insights into interactions not...
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SubjectTerms Computational modeling
dissipative particle dymanics
Laboratories
Monitoring
Portals
science as a service
scientific computing
Software as a service
Supercomputers
Title Exploring HPC-based scientific software as a service using CometCloud
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