Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
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Scaled to CPU Only<br />
Extreme Performance/Price from 1 GPU<br />
4<br />
3.5<br />
3<br />
Simulations run on FERMI @ ICHEC.<br />
A 6-Core 2.66 GHz Intel X5650 was<br />
used for the CPU<br />
2.5<br />
An NVIDIA C2050 was used for the<br />
GPU<br />
2<br />
1.5<br />
1<br />
0.5<br />
CPU+<br />
GPU<br />
CPU<br />
Only<br />
0<br />
Price: Performance: (Shilu-3) Performance: (Water-on-Calcite)<br />
Calcite structure<br />
Adding a GPU can improve performance by 3.7x while only increasing price by 25%
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