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AMBER on Tesla GPUs NAMD on Tesla GPUs LAMMPS on Tesla GPUs
  TeraChem on Tesla GPUs GPU Test Drive Program  
 

NAMD on Tesla GPUs

The Team at University of Illinois at Urbana-Champaign (UIUC) has been enabling CUDA-acceleration on NAMD since 2007. They have performed scaling experiments on the NCSA Tesla-based Lincoln cluster and demonstrated that 4 Tesla GPUs can outperform a cluster with 16 quad core CPUs.
Benchmark Data
NAMD scales very well on a Tesla GPU cluster as demonstrated by these results.
Data courtesy of Theoretical and Computational Bio-physics Group, UIUC
 
 
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