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Computational Chemistry Benchmarks - Nvidia

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Nanoseconds / Day<br />

K10 Strong Scaling over Nodes<br />

Cellulose 408K Atoms (NPT)<br />

Running AMBER 12 with CUDA 4.2 ECC Off<br />

6<br />

5<br />

4<br />

The blue nodes contains 2x Intel X5670<br />

CPUs (6 Cores per CPU)<br />

The green nodes contains 2x Intel X5670<br />

CPUs (6 Cores per CPU) plus 2x NVIDIA<br />

K10 GPUs<br />

2.4x<br />

3<br />

2<br />

3.6x<br />

CPU Only<br />

With GPU<br />

5.1x<br />

1<br />

Cellulose<br />

0<br />

1 2 4<br />

Number of Nodes<br />

GPUs significantly outperform CPUs while scaling over multiple nodes

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