In [1]:
import util
import os
from IPython.core.display import Markdown
benchmark = 'triblock-copolymer'
In [2]:
Markdown(open(os.path.join(benchmark, 'README.md'), 'r').read())
Out[2]:

triblock-copolymer benchmark

The triblock copolymer benchmark runs a system of A10-B7-A10 triblock copolymers that form spherical micelles which organize into a bcc phase. This model is used in the research article: Anderson, JA et. al. - Coarse-Grained Simulations of Gels of Nonionic Multiblock Copolymers with Hydrophobic Groups. Macromolecules, 39(15):5143–5151, July 2006.

Parameters:

  • $N = 64017$
  • $\rho = 0.382$
  • Lennard-Jones pair force
    • $r_\mathrm{cut} = 3.0$
    • $\epsilon = 1.0$
    • $\sigma = 1.0$
    • $\alpha_\mathrm{AA}=0$, $\alpha_\mathrm{AB}=0$, $\alpha_\mathrm{BB}=1$
  • Harmonic bond force
    • $k = 330$
    • $r_0 = 0.84$
  • Integration: Nosé-Hoover NVT
    • $T=1.2$
    • $\tau=0.5$
    • $\delta t = 0.005$

Performance data

Performance results are reported in hours to complete ten million time steps.

In [3]:
rows = util.read_rows(benchmark)
table = util.make_table(rows)
Markdown(table)
Out[3]:
Date System Compiler CUDA HOOMD Precision N CPU GPU Ranks Time for 10e6 steps (hours)
2018/01/15 comet gcc 4.9.2 8.0 2.2.2 double 64,017 Intel(R) Xeon(R) CPU E5-2680 v4 @ 2.40GHz Tesla P100-PCIE-16GB 1 1.83
2016/10/23 psg gcc 4.8.5 8.0 2.1.1 double 64,017 Intel(R) Xeon(R) CPU E5-2698 v3 @ 2.30GHz Tesla P100-PCIE-16GB 1 1.79
2016/10/23 psg gcc 4.8.5 8.0 2.1.1 double 64,017 Intel(R) Xeon(R) CPU E5-2698 v3 @ 2.30GHz Tesla K80 1 4.61
2016/10/23 psg gcc 4.8.5 8.0 2.1.1 double 64,017 Intel(R) Xeon(R) CPU E5-2698 v3 @ 2.30GHz Tesla K40m 1 4.98
2016/10/23 psg gcc 4.8.5 8.0 2.1.1 double 64,017 Intel(R) Xeon(R) CPU E5-2698 v3 @ 2.30GHz Tesla M40 24GB 1 9.81
2016/10/12 psg gcc 4.8.5 8.0 2.1.0 double 64,017 Intel(R) Xeon(R) CPU E5-2698 v3 @ 2.30GHz Tesla P100-PCIE-16GB 1 1.80
2016/10/12 psg gcc 4.8.5 8.0 2.1.0 double 64,017 Intel(R) Xeon(R) CPU E5-2698 v3 @ 2.30GHz Tesla K80 1 4.67
2016/10/13 psg gcc 4.8.5 7.5 2.1.0 double 64,017 Intel(R) Xeon(R) CPU E5-2698 v3 @ 2.30GHz Tesla K40m 1 5.00
2016/10/13 psg gcc 4.8.5 7.5 2.1.0 double 64,017 Intel(R) Xeon(R) CPU E5-2698 v3 @ 2.30GHz Tesla M40 24GB 1 9.84
2016/09/13 collins gcc 4.8.5 7.5 2.0.3 double 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Tesla K40c 1 4.25
2016/09/13 collins gcc 4.8.5 7.5 2.0.3 double 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz TITAN X 1 5.82
2016/09/13 collins gcc 4.8.5 7.5 2.0.3 double 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Quadro M6000 1 10.73
2016/09/13 collins gcc 4.8.5 7.5 2.0.3 double 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz GeForce GTX 680 1 16.60
2015/12/14 collins gcc 4.9.3 7.5 1.3.0 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Quadro M6000 1 2.32
2015/12/14 collins gcc 4.9.3 7.5 1.3.0 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Tesla K40c 1 3.51
2015/12/14 collins gcc 4.9.3 7.5 1.3.0 double 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Tesla K40c 1 4.51
2015/12/14 collins gcc 4.9.3 7.5 1.3.0 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz GeForce GTX 680 1 5.45
2015/12/14 collins gcc 4.9.3 7.5 1.3.0 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Tesla C2070 1 9.31
2015/12/14 collins gcc 4.9.3 7.5 1.3.0 double 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Quadro M6000 1 12.73
2015/12/14 collins gcc 4.9.3 7.5 1.3.0 double 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Tesla C2070 1 13.05
2015/12/14 collins gcc 4.9.3 7.5 1.3.0 double 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz GeForce GTX 680 1 16.91
2015/12/14 collins gcc 4.9.3 7.5 1.2.1 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Quadro M6000 1 2.39
2015/12/14 collins gcc 4.9.3 7.5 1.2.1 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Tesla K40c 1 3.56
2015/12/14 collins gcc 4.9.3 7.5 1.2.1 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz GeForce GTX 680 1 5.55
2015/12/14 collins gcc 4.9.3 7.5 1.2.1 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Tesla C2070 1 9.54
2015/12/14 collins gcc 4.9.3 7.5 1.1.1 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Quadro M6000 1 1.81
2015/12/14 collins gcc 4.9.3 7.5 1.1.1 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Tesla K40c 1 2.74
2015/12/14 collins gcc 4.9.3 7.5 1.1.1 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz GeForce GTX 680 1 3.81
2015/12/14 collins gcc 4.9.3 7.5 1.1.1 single 64,017 Intel(R) Xeon(R) CPU E5-2680 v2 @ 2.80GHz Tesla C2070 1 7.20
In [4]:
from IPython.display import HTML

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