Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
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GAMESS - New Multithreaded Hybrid CPU/GPU Approach to H-F<br />
3.5<br />
Hartree-Fock GPU Speedups*<br />
3.0<br />
2.5<br />
2.3<br />
2.5 2.5<br />
2.3<br />
2.4<br />
2.3<br />
2.9<br />
Adding 1x 2070 GPU<br />
speeds up computations<br />
by 2.3x to 2.9x<br />
2.0<br />
1.5<br />
Speedup<br />
1.0<br />
0.5<br />
0.0<br />
Taxol 6-31G Taxol 6-31G(d) Taxol 6-<br />
31G(2d,2p)<br />
Taxol 6-<br />
31++G(d,p)<br />
Valinomycin 6-<br />
31G<br />
Valinomycin 6-<br />
31G(d)<br />
Valinomycin 6-<br />
31G(2d,2p)<br />
* A. Asadchev, M.S. Gordon, “New<br />
Multithreaded Hybrid CPU/GPU Approach to<br />
Hartree-Fock,” Journal of Chemical Theory and<br />
Computation (2012)<br />
NVIDIA CONFIDENTIAL<br />
87
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