Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
Computational Chemistry Benchmarks - Nvidia
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Recommended GPU Node Configuration for<br />
AMBER <strong>Computational</strong> <strong>Chemistry</strong><br />
Workstation or Single Node Configuration<br />
# of CPU sockets 2<br />
Cores per CPU socket<br />
4+ (1 CPU core drives 1 GPU)<br />
CPU speed (Ghz) 2.66+<br />
System memory per node (GB) 16<br />
GPUs<br />
# of GPUs per CPU socket<br />
Kepler K10, K20, K20X<br />
Fermi M2090, M2075, C2075<br />
1-2<br />
(4 GPUs on 1 socket is good<br />
to do 4 fast serial GPU runs)<br />
GPU memory preference (GB) 6<br />
GPU to CPU connection<br />
PCIe 2.0 16x or higher<br />
Server storage<br />
Network configuration<br />
2 TB<br />
Infiniband QDR or better<br />
28<br />
Scale to multiple nodes with same single node configuration<br />
AMBER Benchmark Report, Revision 2.0, dated Nov. 5, 2012
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