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

AMBER on Tesla GPUs
The explicit solvent and implicit solvent simulations in AMBER have been accelerated using CUDA-enabled GPUs. Paired with a Tesla GPU computing solution built on the CUDA architecture, it enables more than 10x speedup compared to a single quad-core CPU.
AMBER Performance
JAC DHFR - upto 3x faster Cellulose - upto 4x faster
23,558 atoms 408,609 atoms including water
Test Platform: 1, 2 and 4 Node; Per node - Dual Tesla M2070 GPU (6GB), Dual Intel 6-core CPU (2.93 GHz), Infiniband QDR; AMBER 11 + Bugfix15; NAMD 2.8B2; CUDA 3.2.
 
AMBER acceleration performance video
Recommended GPU Solutions
The Tesla Bio Workbench applications can be deployed on GPU-based desktop personal supercomputers or in data center solutions. Built on the revolutionary massively parallel CUDA architecture, Exxact GPU solutions are designed to accelerate the pace of computational science.
 
Workstation Solutions
Quantum TXR410-192R - 2 Intel Xeon CPUs, 4 Tesla C2070/C2050 GPUs
Data Center Solutions
Quantum TXR210-96N - 2 Intel Xeon CPUs, 4 Tesla M2090/M2070/M2050 GPUs
Quantum TXR111-96N - 2 Intel Xeon CPUs, 3 Tesla M2090/M2070/M2050 GPUs