[AMBER] PMEMD on the Open Science Grid

From: Steven Cox <scox.renci.org>
Date: Thu, 31 Mar 2011 14:19:42 +0000

RENCI is running PMEMD on the Open Science Grid, the high throughput computing (HTC) fabric used by the Large Hadron Collider (LHC).

This approach is likely to be helpful to list users with any of these challenges -

  1. Constrained by limited computing resources including access to GPGPUs
  2. Manually executing the same simulation repeatedly with different parameters
  3. Needing to make simulations easier to understand, share, scale and re-use across compute resources

For more information see:

  1. High Throughput Parallel Molecular Dynamics<http://osglog.wordpress.com/2010/11/04/high-throughput-parallel-molecular-dynamics/>
  2. CUDA/Tesla Accelerated PMEMD on OSG<http://osglog.wordpress.com/2011/02/02/amber11-pmemd-for-nvidia-gpgpu/>
  3. Open Science Grid Work Log<http://osglog.wordpress.com/>

Please contact me if you'd like to discuss further. We can have a brief conversation to determine if your application is a fit. If it is, we'll provide access to the grid as well as tools for executing and managing simulations.


Steve Cox

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Received on Thu Mar 31 2011 - 07:30:04 PDT
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