Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
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Time (s)<br />
QE/PWscf - Great Strong Scaling in Parallel<br />
35000<br />
CdSe-159 Walltime of 1 full SCF<br />
Simulations run on STONEY @ ICHEC.<br />
30000<br />
Two quad core 2.87 GHz Intel X5560s<br />
were used in each node<br />
25000<br />
2.5x<br />
Lower is better<br />
CPU<br />
CPU+GPU<br />
Two NVIDIA M2090s were used in<br />
each node for the CPU+GPU test<br />
20000<br />
15000<br />
10000<br />
5000<br />
2.2x<br />
2.1x<br />
2.2x<br />
0<br />
2 (16) 4 (32) 6 (48) 8 (64) 10 (80) 12 (96) 14 (112)<br />
Nodes (Total CPU Cores)<br />
159 Cadmium Selenide nanodots<br />
Speedups up to 2.5x with GPU Accelerations
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