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Computational Chemistry Benchmarks - Nvidia

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Replace 8 Nodes with 1 K20 GPU<br />

90.00<br />

80.00<br />

70.00<br />

60.00<br />

50.00<br />

40.00<br />

30.00<br />

65.00<br />

81.09 $32,000.00<br />

35000<br />

30000<br />

25000<br />

20000<br />

15000<br />

10000<br />

Running AMBER 12 GPU Support Revision 12.1<br />

SPFP with CUDA 4.2.9 ECC Off<br />

The eight (8) blue nodes each contain 2x Intel<br />

E5-2687W CPUs (8 Cores per CPU)<br />

Each green node contains 2x Intel E5-2687W<br />

CPUs (8 Cores per CPU) plus 1x NVIDIA K20<br />

GPU<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 />

20.00<br />

$6,500.00<br />

10.00<br />

5000<br />

0.00<br />

0<br />

Nanoseconds/Day<br />

Cost<br />

Cut down simulation costs to ¼ and gain higher performance<br />

DHFR<br />

24<br />

AMBER Benchmark Report, Revision 2.0, dated Nov. 5, 2012

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