Highly Optimized Object-oriented Many-particle Dynamics -- Blue Edition

Benchmark Results

HOOMD-Blue 0.11.2

HostGPUPolymer TPSLJ liquid TPS
Xeon E5-2670 (SandyBridge-E) PCIe v2 16xTesla K20X (ECC off)8851014
Xeon E5-2667 (SandyBridge-E) PCIe v2 16xTesla K20m (ECC off)785890
Xeon E5-2670 (SandyBridge-E) PCIe v2 16xTesla M2090 (ECC off)597682
Xeon X5670 (Westmere) PCIe v2 16xTesla M2070 (ECC off)486553
Xeon X5670 (Westmere) PCIe v2 16xTesla M2050 (ECC off)490560

Acknowledgment: NVIDIA provided hardware that ran the Tesla benchmarks

Fields

  • Host - Host hardware
  • GPU - The GPU on which the benchmark was performed or n/a if executed on the host
  • Polymer TPS - Performance of the polymer benchmark in Time steps Per Second
  • LJ liquid TPS - Performance of the Lennard-Jones liquid benchmark in Time steps Per Second

Polymer system MD

Snapshot of the test system

The polymer system consists of of bead-spring ABA triblock polymers. 2,371 polymers of length 27 (for a total of 64017 particles) are simulated in implicit solvent at a packing fraction of 0.2. For more information on this polymer model, see the article 10.1027/ma061120f An average performance is measured over 50,000 time steps.

You can run this benchmark on your own machine by installing HOOMD and executing the benchmark script polymer_bmark.hoomd

The image shows a snapshot of a single time step in this benchmark with each sphere representing a single particle. Blue spheres are hydrophobic monomers and the orange ones are hydrophilic.

Lennard-Jones liquid MD

Snapshot of the test system

The Lennard-Jones liquid benchmark consists of 64,000 particles at a packing fraction of 0.2. An average performance is measured over 50,000 time steps.

You can run this benchmark on your own machine by installing HOOMD and executing the benchmark script lj_liquid_bmark.hoomd

The image shows a snapshot of a single time step in this benchmark with each sphere representing a single particle.

Notes

You can run these benchmarks yourself by installing HOOMD and executing the associated script. See the Installation Guide for more information on how to run benchmark.

VMD was used to create snapshots on this page and they were raytraced in tachyon.