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Computational Chemistry Benchmarks - Nvidia

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Nanoseconds / Day<br />

K10 Extreme Performance<br />

120<br />

JAC 23K Atoms (NVE)<br />

Running AMBER 12 GPU Support Revision 12.1<br />

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

(8 Cores per CPU).<br />

100<br />

97.99<br />

The green node contain Dual E5-2687W CPUs (8<br />

Cores per CPU) and 2x NVIDIA K10 GPUs<br />

80<br />

60<br />

40<br />

20<br />

0<br />

12.47<br />

1 Node 1 Node<br />

Gain 7.8X performance by adding just 2 GPUs<br />

when compared to dual CPU performance<br />

DHFR

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