- Status: planned, active, completed
- Start Date: DD/MM/YY
- End Date: DD/MM/YY
- EGI.eu contact: email@example.com
- External contact: contact@something
Short description of the FedCloud Use Case.
Use case 1
Using VMs prepared with Gromacs and some other software to run MD simulations for educational purpose, possibly on multi-core VMs. These VMs are currently run on the SARA cloud for a computer practical of University courses, see here.
Use case 2
Validating and improving biomolecular NMR structures using VirtualCing (VCing), a Virtual Machine (VM) equipped with a complex suite of ~25 programs.
A presentation of the current deployment at the Dutch National HPC Cloud is available here, and recently a paper has been published here.
The cloud usage framework is based on a pilot job mechanism making use of the ToPoS tool. Therefore, such a framework would naturally allow for execution of VCing 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) VCing 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.
Furthermore, a live demonstration about the deployment and use of VCing on the WNoDeS testbed of the INFN-CNAF computing centre has been shown at the EGI TF 2012 held in September.
1. Here below are the steps carried out to make the VCing image work with the WNoDeS framework for the network and debian/ubuntu:
- modifying the file /etc/network/interfaces as follows:
auto lo iface lo inet loopback auto eth0 allow-hotplug eth0 iface eth0 inet dhcp auto eht1 allow-hotplug eth1 iface eth1 inet dhcp
- deleting /etc/udev/rules.d/70-persistent-net.rules file
- removing the hostaname in the file /etc/hostname
2. Operations to be done on the NMR server nmr.cmbi.ru.nl hosted at CMBI:
- setting the environment
iLnmr/~/ source cingStableSettings.csh
- adding the 534 tokens for the demo to the Topos server https://topos.grid.sara.nl/4.1/pools/<string to keep private>
iLnmr/~/ $C/python/cing/Scripts/vCing/vCing.py addTokenListToTopos $D/NRG-CING/token_list_todo.txt
For testing purpose you can before try with one token by adding manually from the Topos web interface e.g. the following line:
refineEntryNrg 1i2u 9 http://nmr.cmbi.ru.nl/NRG-CING/data firstname.lastname@example.org:/mnt/data/D/NMR_REDO . . BY_CH23_BY_ENTRY CING 0 auto 0 0 0
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