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AMBER on Tesla GPUs NAMD on Tesla GPUs LAMMPS on Tesla GPUs
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LAMMPS on Tesla GPUs
LAMMPS is a classical molecular dynamics package written to run well on parallel machines. The CUDA version of LAMMPS is accelerated by moving the force calculations to the GPU.
Benchmark Data
LAMMPS on the GPU scales very well as seen by the results below. Two Tesla GPUs running GPU-LAMMPS outperforms 24 CPUs.
 
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