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---
- https://raw.githubusercontent.com/usnistgov/pfhub/master/_data/simulations/moose_1a_mpf/meta.yaml
time elastic_free_energy bulk_free_energy gradient_free_energy total_free_energy
0.1 3.1960092957607 5.50418337583582 32.6316167850002 41.3318094565967
0.15 3.15384589098048 6.37432480102649 8.76450884935825 18.2926795413652
0.175 3.13439262479407 6.75062575714681 6.91356034784629 16.7985787297872
0.1875 3.13313650467628 6.79223241580234 6.55124777757963 16.4766166980582
0.2125 3.13046779871152 6.80437895028145 6.4178821164211 16.3527288654141
0.225 3.12767793330717 6.85808214803013 6.16882064285501 16.1545807241923
0.25 3.1260404392239 6.87545236358091 6.06964315449575 16.0711359573006
0.3 3.12357092386077 6.91670698714666 5.88771735738057 15.927995268388
0.325 3.11899850834953 6.98368917635987 5.60388918638035 15.7065768710898
@wd15
wd15 / 3d-composite-active-learning.png
Last active March 8, 2023 20:24
Images for project web page
3d-composite-active-learning.png
@wd15
wd15 / Total_Energy_vs_time.csv
Created January 13, 2023 18:36
PFHub Data for simulation Spinodal_c
Time Total_Energy
0 31.8836358700855
0.5 31.8780266159218
1 31.8663557314585
1.5 31.8527488083688
2 31.8367198752642
2.5 31.8176605138186
3 31.7947834904883
3.5 31.7670665545969
4 31.7331808031587
time Total_Free_energy
0 319.043839401225
0.1 319.034501426274
0.25 319.006644735946
0.475 318.962852105183
0.8125 318.892140737786
1.31875 318.773283587044
2.078125 318.560187916107
3.2171875 318.134354088041
4.92578125 317.099985315468
@wd15
wd15 / chimad-report.md
Last active March 7, 2022 23:12
Report for CHiMaD 2022

CHiMaD Annular Report - PI Report -- PFHub 2021

Research Accomplishments

Background

PFHub is a community effort spearheaded by the Center for Hierarchical Materials Design at Northwestern University and the National Institute of Standards and Technology in support of phase-field code development. The current PFHub deployment focuses on improving

misc
dask-worker-space
.local
time_step L2_error
3.600000E-03 2.546636E-04
2.160000E-03 2.500220E-04
1.296000E-03 2.453652E-04
7.776000E-04 2.448922E-04
4.665600E-04 2.447349E-04
2.799360E-04 2.451709E-04
1.679616E-04 2.456623E-04
@wd15
wd15 / README.md
Last active November 7, 2022 14:23
Nix on the cluster odyssey

Nix on the cluster

To use Nix with an ordinary install on the cluster requires access to /nix and also sharing /nix across all compute nodes. This is not feasible without a great deal of work by the sys admin. There already exist shared directories that users have access to (/users and /working). /working is used mostly for building environments and writes during job runs. There are two ways to install a non-root Nix. One is to try to install a version of Nix with a built-in alternative store location and the other is to use chroot and trick

@wd15
wd15 / data.csv
Created April 26, 2021 01:12
Prototype data from benchmark 8b
time fraction particle_count energy
0.0 0.001994998949457356 25.0 28.516358221739324
0.04 0.00199444507440518 25.0 28.349339689656492
0.08 0.001994202883377461 25.0 28.21403864244318
0.12 0.0019942441661962643 25.0 28.103650447812164
0.16 0.001994544030609188 25.0 28.01297078221205
0.2 0.001995080394112632 25.0 27.9379774787729
0.24 0.001995833576577355 25.0 27.875533597807642
0.28 0.0019967859700237107 25.0 27.82317286806698
0.32 0.001997921768026769 25.0 27.77894234297878