Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
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Recommended GPU Node Configuration for<br />
GROMACS <strong>Computational</strong> <strong>Chemistry</strong><br />
Workstation or Single Node Configuration<br />
# of CPU sockets 2<br />
Cores per CPU socket 6+<br />
CPU speed (Ghz) 2.66+<br />
System memory per socket (GB) 32<br />
GPUs<br />
# of GPUs per CPU socket<br />
Kepler K10, K20, K20X<br />
Fermi M2090, M2075, C2075<br />
1x<br />
Kepler-based GPUs (K20X, K20 or K10): need fast Sandy<br />
Bridge or perhaps the very fastest Westmeres, or high-end<br />
AMD Opterons<br />
GPU memory preference (GB) 6<br />
GPU to CPU connection<br />
Server storage<br />
Network configuration<br />
PCIe 2.0 or higher<br />
500 GB or higher<br />
Gemini, InfiniBand<br />
61<br />
Scale to multiple nodes with same single node configuration
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