chsimpy-artifact

Reproducable artifact data for the Cahn-Hilliard simulation program chsimpy (python3). Data and figures are used in the paper: Simulation of phase separation in Na2O-SiO2 glasses under uncertainty, Henning Höllwarth, Stephan A.H. Sander, Matthias Werner, Sindy Fuhrmann, Björn Sprungk; Journal of Non-Crystalline Solids, Volume 621, 2023, ISSN 0022-3093, https://doi.org/10.1016/j.jnoncrysol.2023.122534.

Structure

├── chsimpy  # subtree of chsimpy used for data creation
├── data
│   ├── experiments  # 15k files, ~500 MiB
│   ├── paper-pictures
├── tex  # table + figures for paper
│   ├── fig.tex  # generated by paper.ipynb, run pdflatex fig.tex to create pdf
│   └── pictures # generated by paper.ipynb

data/experiments contains results of:

• 1000 runs with varying A0 and A1 (run = {0,..,999})
• 1000 runs with varying A0 (suffix independent, run = {0,..,999})
• 1000 runs with varying A1 (suffix independent, run = {1000,..,1999})
• uniform distribution of A0 and A1 with a variation of [99.5%, 100.5%]
• metadata
• metadata (independent)
• parameter configuration of first run
• parameter configuration of first run (independent)

data/paper-pictures are results and figures used for the paper.

• pictures of the simulation progress after 1, 60, 320 and 1020min used for the energy decay figure (Fig. 2)
• c0=0.875, see also parameter configuration
• pictures of the simulation progress after 40, 320 and 1020min with c0=0.89 for comparison (Fig. 4)

Workflow to Reproduce Results

Following scripts are provided to run the simulation with the same configuration as we did. Check the script code to modify the multi-processor usage and other parameters.

# the results of these runs are stored in chsimpy/
./run-experiment.sh 1000 8  # nr_runs nr_processes
./run-paper-pic.sh

Hardware and Runtimes

The simulations were performed on a Notebook with:

System:
  Host: mw-81q9 Kernel: 6.1.25-1-MANJARO arch: x86_64 bits: 64 Desktop: Xfce
CPU:
  Info: quad core Intel Core i7-1065G7 [MT MCP] speed (MHz): avg: 1442
Machine:
  Type: Convertible System: LENOVO product: 81Q9 v: Lenovo Yoga C940-14IIL

The runtimes vary depending on multi-core parallelization and usage by other programs.

• experiments: about 4h 40min (6 parallel processes)
• paper-pictures: about 10min