Daniel Wheeler wd15

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

	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

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

	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

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

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

	x,y,phi,dx
	0.10020040080160321,0.10020040080160321,1.1373676689766583e-66,0.20040080160320642
	0.30060120240480964,0.10020040080160321,1.6716662726735316e-66,0.20040080160320642
	0.5010020040080161,0.10020040080160321,2.98494404557221e-66,0.20040080160320642
	0.7014028056112225,0.10020040080160321,5.675670774047103e-66,0.20040080160320642
	0.9018036072144289,0.10020040080160321,1.096164069740234e-65,0.20040080160320642
	1.1022044088176353,0.10020040080160321,2.1216499984635004e-65,0.20040080160320642
	1.3026052104208419,0.10020040080160321,4.100707961888886e-65,0.20040080160320642
	1.5030060120240483,0.10020040080160321,7.907216276922727e-65,0.20040080160320642
	1.7034068136272547,0.10020040080160321,1.5207579284148994e-64,0.20040080160320642

	misc
	dask-worker-space
	.local