This paper brings an overall view of the service-oriented architecture (SOA) used in VLab, a system aimed to handle concurrent calculations of geo-materials participating in extensive workflows. We recap the algorithms of physical importance that underly the system requirements. The system architecture then emerges naturally. A usage view diagram is shown and thoroughly discussed. We also show how analysis tools are integrated in the SOA.
Bibliographical noteFunding Information:
Research was supported by NSF grant ITR-0426757 (VLab). Minnesota Su-percomputing Institute provided the main computational facilities.
- Distributed computing
- First-principles molecular dynamics
- Geo-materials computation
- Grid computing