The Phase Field Community Hub
Daniel Wheeler
Acknowledgements
- Trevor Keller, NIST
- Stephen DeWitt, U. of Michigan
- Andrea Jokisaari, INL
- Daniel Schwen, INL
- Jon Guyer, NIST
- Larry Aagensen, INL
- Olle Heinonen, ANL
- Mike Tonks, U. of Florida
- Peter Voorhees, Northwestern
- Jim Warren, NIST
- David Montiel, U. of Michigan
PFHub team
PHASE Field Methods Workshop, January 2015
Themes
- Reproducible research
- Data repositories / views
- Community building
STANDARD PROBLEMS
PHASE field
- Widely used method
- Many length scales
- Dozens of codes
TS=("phase field" OR "phase-field")
What did we decide to do in 2015?
- Develop benchmarks (standard problems)
- Develop a repository of benchmark results
Benchmarks
-
Robust
-
Validating and verifying
-
Relevant
| Benchmark | Paper | Uploads | Variations |
|---|---|---|---|
| 1. Spinodal Decomposition | Cahn (1961) | 54 | 4 |
| 2. Ostwald Ripening | Zhu (2004) | 25 | 4 |
| 3. Dendritic Growth | Karma & Rappel (1998) | 14 | 1 |
| 4. Elastic Precipitate | Jokisarri (2017) | 12 | 8 |
| 5. Stokes Flow | 0 | 2 | |
| 6. Electrostatics | Guyer (2004) | 8 | 2 |
| 7. Allen-Cahn MMS | Salari and Knupp (2000) | 9 | 3 |
| 8. Nucleation | 4 | 4 |
"models are most useful when they are used to challenge existing formulations, rather than to validate a predetermined result"
Verification, Validation, and Confirmation of
Numerical Models in the Earth Sciences, Science (1994)
BENCHMARK Spec
Benchmark Result
How Do we Collect Results?
- Upload form / Github PR review
- Metadata stored in Git
- Just provide link to data results
PFHUb DESign
The basic stack is as simple as it gets:
- HTML, CSS and Javascipt files
- NIST pages static HTTP server
- Supplemented with external APIs where necessary
CMS-FREE
PFHub design
github
staticman
Jekyll
DATA app
Figshare
backblaze
s3
Mdf
BOX
REView Process
github PR
Surge
TRAVIS CI
REVIEWER
USER
Staticman
Automate Data Capture?
github
DATA Store
UPLOAD FORM
CODE
DATA
META-DATA
SIMULation Management Tool
CoRR
Sumatra
Maestrowf
AiiDA
Reprozip
CDE
Networkflow
Panda
Users in Heterogeneous Environments
Schema Standards?
- Boutiques
| Code | Uploads | Contributors (Year) | Language | Person-Years |
|---|---|---|---|---|
| Moose | 59 | 222 (?) | C++ | 128 |
| FEniCS | 14 | 163 (39) | C++ | 112 |
| MMSP | 11 | 10 (0) | C++ | 5 |
| FiPy | 12 | 20 (3) | Python | 6 |
| PRISMS-PF | 10 | 12 (1) | C++ | 9 |
| Sfepy | 8 | 25 (6) | Python | 20 |
| Custom | 7 | |||
| Memphis | 4 | |||
| Ampe | 1 | C++ | ||
| HiPerC | 1 | 2 (1) | C | 1 |
Uploads by Code
Community Organization
- Semiannual workshops since 2015 at CHiMaD
- 3 Hackathons to test new benchmark problems
- Install-a-thon
- Upload-a-thon
- Chat meetings
- Code of conduct
October 15, 2015 – Northwestern University
Install-a-thon
Survey Monkey: https://bit.ly/2nDYHwj
- 17 participants
- 35 questions
The installation is quite long, probably 2-3 hours, even if everything goes right. There's a big gap in the documentation. The installation directions are good, but there aren't any directions about what to do once the code has been installed and the test suite is complete. I simple walkthrough...
Comments
Jan, 2018
education
- Feedback
- Guidelines for determining control parameters (such as Δx and Δt), mesh construction
- More uploads and fewer variations
- More links to examples
- Develop Software Carpentry style workshop?
publications
January 2017
June 2018
September 2019
April 2020
Summary
- Template for small scientific communities
- Low maintenance
- No security issues
- Long term reliability
- Easy to deploy
- Improved phase field code quality assurance via benchmarks