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Computational Chemistry Benchmarks - Nvidia

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Energy Expended (kJ)<br />

Greener Science with NVIDIA<br />

18000<br />

Energy Used in Simulating 1 ns Daresbury G1nBP 61.2k Atoms<br />

16000<br />

14000<br />

12000<br />

10000<br />

8000<br />

6000<br />

Lower is better<br />

Running CHARMM release C37b1<br />

The blue nodes contains 64 X5667 CPUs<br />

(95W, 4 Cores per CPU).<br />

The green nodes contain 2 X5667 CPUs and 1<br />

or 2 NVIDIA C2070 GPUs (238W each).<br />

Note: Typical CPU and GPU node pricing used.<br />

Pricing may vary depending on node<br />

configuration. Contact your preferred HW vendor<br />

for actual pricing.<br />

4000<br />

2000<br />

0<br />

64x X5667 2x X5667 + 1x C2070 2x X5667 + 2x C2070<br />

Energy Expended<br />

= Power x Time<br />

Using GPUs will decrease energy use by 75%

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