Grid'5000 experiment

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Interactive molecular simulation with FvNano (Application)

Conducted by

Description

Fvnano is an application which allow the user to visualize a running molecular simulation (gromacs) and to interact with it by applying forces on a set of atoms using an haptic device. To visualize at interactive speed the simulation (~15Hz) on ever bigger molecules, a large amount of cpu and fast network are required. The current experiments aim to test the limits of our system to see the first bottleneck of our application. 2 exceptionnals sessions with 64 nodes are required to test the limits of the application. As it is an interactive application with visualization, it has to be done during day time. Sorry for the inconvinient.

Status

in progress

Resources

  • Nodes involved: 50
  • Sites involved: 1
  • Minimum walltime: 2h
  • Batch mode: no
  • Use kadeploy: yes

Tools used

Oar,Kadeploy3,FlowVR

Results

For now, best result is 13 Hz using 32 nodes on a molecule containing 1M7 atoms. *Update 10/04/2012* 20 Hz using 64 nodes on a molecule containing 1M7 atoms.

More information here

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Last update: 2012-04-10 16:35:20
Experiment #1499

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