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Computational Chemistry Benchmarks - Nvidia

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Performance Relative to CPU Only<br />

Kepler, it’s faster<br />

14<br />

12<br />

Running CP2K version 12413-trunk on CUDA<br />

5.0.36<br />

10<br />

8<br />

6<br />

The blue node contains 2 E5-2687W CPUs<br />

(150W, 8 Cores per CPU).<br />

The green nodes contain 2 E5-2687W CPUs<br />

and 1 or 2 NVIDIA K10, K20, or K20X GPUs<br />

(235W each).<br />

4<br />

2<br />

0<br />

CPU Only CPU + K10 CPU + K20 CPU + K20X CPU + 2x K10 CPU + 2x K20 CPU + 2x K20X<br />

Using GPUs delivers up to 12.6x the performance per node

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