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Scenario 2: Managing my own data and my own VM
Leader: Matteo Turilli, Oxford e-Reesarch Centre
WeNMR use cases
- Using VMs prepared with Gromacs and some other software to run MD simulations for educational purpose, possibly on multi-core VMs.
- Validating biomolecular NMR structures using VirtualCing, a VMware VM equipped with a complex suite of ~25 programs. A presentation of the current deployment at the Dutch National HPC Cloud is available here. The cloud usage framework is based on a pilot job mechanims making use of the ToPoS tool. Therefore, such a framework would naturally allow for execution of VirtualCing tasks across multiple cloud providers. Do notice that the framework is independent on the cloud access interface: it would work also with simple grid jobs, as far as the user-defined (or VO manager defined) VirtualCing VM is available at the grid site e.g. in a SE (or in the VO software area mounted by the WNs) and the grid job is allowed to start the VM. Technical details about its current implementation are available here.