Folding@home is an unmatched resource for running molecular dynamics simulations on a massive scale.
The need for significant computational resources doesn’t end with data generation though, as analyzing all the data that comes in also requires hefty calculations.
The Bowman lab has quite a nice setup for this:)
Hardware includes
- 1.5 PB Flashblade from Pure Storage
- 12x CPU nodes with 128 AMD CPU cores each and 512 GB memory
- 20 NVIDIA A5000 Ada GPUs
- 28 NVIDIA A5000 GPUs
- 10 NVIDIA Quadro RTX 6000 GPUs
- 15 NVIDIA Tesla P100 GPUs
- 4-12 Intel CPU cores associated with each GPU