Morse bulk

SystemMorse

Atoms—¹

Runs100

Cap10000 force calls

¹ The problem file does not state an atom count.

The main metric is Force calls. Scoring rules.

Charts

Success rate on Morse bulk, in rank order. The rate is the share of runs that finished. 11 ranked rows did not record a success rate and are not drawn. PDF.

Dolan-Moré profile for Minimizers on Morse bulk. The curve is the fraction of starts whose cost is at most tau times the best finite cost in this family. Tau is 1, 2, 4, 8, and 16. An unsolved start stays in the denominator and does not cross a finite tau. Dolan, E. D. and Moré, J. J., Math. Program. 91:201-213, 2002. Colored lines are the six largest areas. The other curves are gray. PDF.

Force calls on each recorded start for Morse bulk. The box is the quartiles of those counts. A blue point is a success and a vermillion cross is a recorded failure (1144). The horizontal position is the recorded count. The vertical offset only keeps marks from covering one another. PDF.

rgmin on Morse bulk. Each point is one recorded version of one method. Versions run left to right in numeric order. PAR-2 is omitted where that row has none. No line is drawn across a missing value. PDF.

ASE on Morse bulk. Each point is one recorded version of one method. Versions run left to right in numeric order. PAR-2 is omitted where that row has none. No line is drawn across a missing value. PDF.

Performance profile. Higher means more starts solved within that cost ratio. Colored lines are the six largest areas. Thin lines are the other 50.

• rgmin (0.4.1) · NEWTON
• rgmin (0.4.0) · NEWTON
• rgmin (0.4.0) · DOGLEG
• rgmin (0.4.1) · DOGLEG
• rgmin (0.4.1) · LBFGS
• rgmin (0.4.0) · LBFGS

Cost distribution of 67 ranked rows. Logarithmic bins, from 8.35 to 20000.

Performance profile SVG Cost and success SVG

Performance profile. Select the plot for the full SVG.

Cost and success. Select the plot for the full SVG.

A shorter bar is a lower cost on a log scale shared by the codes of this problem.

Leaderboard

A shorter bar is a lower cost on the log scale for that problem. Select a column heading to sort.

Rank	Code	Best	Median	Success	PAR-2
1	rgmin	8.35	61.89	100.0%	8.35
2	TSASE	19	8812.68	100.0%	19
3	Sella	28.89	28.89	100.0%	28.89
4	ASE	28.91	53.58	100.0%	28.91
5	GMIN	34.4	34.4	100.0%	34.4
6	vc-SQNM	40.51	44.62	100.0%	40.51
7	OPTIM	46	8727.4	100.0%	46
8	pele	51	92.06	100.0%	51
9	Eon svn	52	106	100.0%	52
10	eOn	54.18	54.18	100.0%	54.18
11	DL-FIND	13626.5	16449.2	32.0%	13626.5
12	LAMMPS	17656.7	19150.8	12.0%	17656.7

The tables below list every ranked row, by method family and overall.

A run short of the full set, or a run that is not the stock method, stays off the ranked table.

Files with no per-start harness record stay off the ranked table.

These archived rows rank on the value each one published, which leaves out any failure. The failure rule has no score for them, for the reason given with each.

• ASE (3.6.0) · ase-lbfgs (the entry records no failure count)
• ASE (3.6.0) · ase-fire (the entry records no failure count)

Minimizers

Minimizers. One row is one code, one version, and one method. A lower cost is better. PAR-2 counts a finished run as the calls it used and a failed run as twice the cap. An archived row shows the average it published, and its PAR-2 applies that rule to the failures the entry records. Hessians is the mean analytic Hessian count. FD calls is that count times one force call per coordinate.

Rank	Row	Cost	Unit	Hessians	FD calls	Runs
1	rgmin (0.4.1) · NEWTON	8.35	force calls	7.35		100
2	rgmin (0.4.0) · DOGLEG	10.11	force calls	9.11		100
3	rgmin (0.4.1) · DOGLEG	10.11	force calls	9.11		100
4	tsase-SDLBFGS maxstep=0.1 optimizer='maxatom'	19	force calls	0	0	100
5	rgmin (0.4.1) · LBFGS	26.87	force calls	0	0	100
6	rgmin (0.4.0) · LBFGS	27.05	force calls	0	0	100
7	rgmin (0.4.1) · DIIS	27.44	force calls	0	0	100
8	Sella (2.6.0) · Sella	28.89	force calls	0	0	100
9	ASE (3.29.0) · BFGSLineSearch	28.91	force calls	0	0	100
10	rgmin (0.4.1) · BB	33.22	force calls	0	0	100
11	ase-PreconLBFGS maxstep=0.1	34	force calls	0	0	100
12	GMIN (df8da5992675) · LBFGS	34.4	force calls	0	0	100
13	vc-SQNM (1.3) · ASE-SQNM	40.51	force calls	0	0	100
14	vc-SQNM (1.3) · SQNM	40.51	force calls	0	0	100
15	ASE (3.29.0) · PreconODE12r	41.78	force calls	0	0	100
16	OPTIM · L-BFGS	46	force calls	0	0	100
17	vc-SQNM (1.3) · vc-SQNM	48.73	force calls	0	0	100
18	vc-SQNM (1.3) · ASE-vc-SQNM	49.37	force calls	0	0	100
19	rgmin (0.4.1) · CG	50.49	force calls	0	0	100
20	pele-lbfgs	51	force calls	0	0	100
21	eOn (r2030) · eon-lbfgs	52	force calls	0	0	100
22	ASE (3.29.0) · BFGS	53.36	force calls	0	0	100
23	ASE (3.29.0) · LBFGS	53.36	force calls	0	0	100
24	ASE (3.6.0) · ase-lbfgs	53.8	force calls	0	0	100
25	rgmin (0.4.0) · BFGS	54.04	force calls	0	0	100
26	rgmin (0.4.1) · BFGS	54.04	force calls	0	0	100
27	eOn (3.6.0) · LBFGS	54.18	force calls	0	0	100
28	rgmin (0.4.0) · CG	54.72	force calls	0	0	100
29	rgmin (0.4.1) · SR2	59.53	force calls	0	0	100
30	ASE (3.29.0) · PreconLBFGS	59.83	force calls	0	0	100
31	rgmin (0.4.1) · SR1	61.53	force calls	0	0	100
32	rgmin (0.4.1) · QUICKMIN	61.75	force calls	0	0	100
33	rgmin (0.4.0) · QUICKMIN	62.03	force calls	0	0	100
34	eOn (r2030) · eon-sd-twopoint	64	force calls	0	0	100
35	rgmin (0.4.1) · SD	90.48	force calls	0	0	100
36	pele (0.1.2) · LBFGS	92.06	force calls	0	0	100
37	pele (0.1.2) · MYLBFGS	92.06	force calls	0	0	100
38	rgmin (0.4.0) · SD	96.59	force calls	0	0	100
39	eOn (r2030) · eon-cg	106	force calls	0	0	100
40	rgmin (0.4.1) · FIRE	113.19	force calls	0	0	100
41	ASE (3.29.0) · FIRE	113.36	force calls	0	0	100
42	rgmin (0.4.0) · FIRE	116.19	force calls	0	0	100
43	pele (0.1.2) · FIRE	118.84	force calls	0	0	100
44	rgmin (0.4.0) · FIRE2	121.85	force calls	0	0	100
45	rgmin (0.4.1) · FIRE2	121.85	force calls	0	0	100
46	ASE (3.6.0) · ase-fire	147.47	force calls	0	0	100
47	eOn (r2030) · eon-fire	156	force calls	0	0	100
48	eOn (r2030) · eon-sd	196	force calls	0	0	100
49	rgmin (0.4.1) · ADAM	219.34	force calls	0	0	100
50	rgmin (0.4.0) · ADAM	285.73	force calls	0	0	100
51	rgmin (0.4.0) · SR2	341.13	force calls	0	0	100
52	ASE (3.29.0) · PreconFIRE	363.32	force calls	0	0	100
53	rgmin (0.4.0) · NEWTON	396.69	force calls	295.69		100
54	rgmin (0.4.0) · SR1	566.31	force calls	0	0	100
55	DL-FIND (0.0.3) · L-BFGS	13626.5	force calls	0	0	100
56	rgmin (0.4.0) · BB	15606.6	force calls	0	0	100
57	rgmin (0.4.0) · DIIS	16153.4	force calls	0	0	100
58	DL-FIND (0.0.3) · conjugate gradient	16449.2	force calls	0	0	100
59	OPTIM (svn-snapshot) · L-BFGS	17408.8	force calls	0	0	100
60	DL-FIND (0.0.3) · steepest descent	17438.6	force calls	0	0	100
61	TSASE (1.0) · SDLBFGS	17606.4	force calls	0	0	100
62	LAMMPS (30 Sep 2026) · FIRE	17656.7	force calls	0	0	100
63	LAMMPS (30 Sep 2026) · conjugate gradient	19004.7	force calls	0	0	100
64	LAMMPS (30 Sep 2026) · Quickmin	19150.8	force calls	0	0	100
65	LAMMPS (30 Sep 2026) · steepest descent	19211.2	force calls	0	0	100
66	LAMMPS (30 Sep 2026) · Hessian-free truncated Newton	19415	force calls	0	0	100
67	pele (0.1.2) · steepest descent	20000	force calls	0	0	100

Overall

One row is one code, one version, and one method. A lower cost is better. PAR-2 counts a finished run as the calls it used and a failed run as twice the cap. An archived row shows the average it published, and its PAR-2 applies that rule to the failures the entry records. Hessians is the mean analytic Hessian count. FD calls is that count times one force call per coordinate.

Row	Family	Family rank	Unit	PAR-2	Published	Median calls	Mean calls	Hessians	FD calls	Failures	Runs
rgmin (0.4.1) · NEWTON	Minimizers	1	force calls	8.35		9	8.35	7.35		crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.0) · DOGLEG	Minimizers	2	force calls	10.11		10	10.11	9.11		crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.1) · DOGLEG	Minimizers	3	force calls	10.11		10	10.11	9.11		crash 0, divergence 0, cap 0, wrong_stationary 0	100
tsase-SDLBFGS maxstep=0.1 optimizer='maxatom'	Minimizers	4	force calls	19	19		19	0	0	0 failed	100
rgmin (0.4.1) · LBFGS	Minimizers	5	force calls	26.87		27	26.87	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.0) · LBFGS	Minimizers	6	force calls	27.05		27	27.05	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.1) · DIIS	Minimizers	7	force calls	27.44		28	27.44	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
Sella (2.6.0) · Sella	Minimizers	8	force calls	28.89		28	28.89	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
ASE (3.29.0) · BFGSLineSearch	Minimizers	9	force calls	28.91		28	28.91	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.1) · BB	Minimizers	10	force calls	33.22		34	33.22	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
ase-PreconLBFGS maxstep=0.1	Minimizers	11	force calls	34	34		34	0	0	0 failed	100
GMIN (df8da5992675) · LBFGS	Minimizers	12	force calls	34.4		35	34.4	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
vc-SQNM (1.3) · ASE-SQNM	Minimizers	13	force calls	40.51		41	40.51	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
vc-SQNM (1.3) · SQNM	Minimizers	14	force calls	40.51		41	40.51	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
ASE (3.29.0) · PreconODE12r	Minimizers	15	force calls	41.78		44	41.78	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
OPTIM · L-BFGS	Minimizers	16	force calls	46	46	45	46	0	0	0 failed	100
vc-SQNM (1.3) · vc-SQNM	Minimizers	17	force calls	48.73		40	48.73	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
vc-SQNM (1.3) · ASE-vc-SQNM	Minimizers	18	force calls	49.37		40	49.37	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.1) · CG	Minimizers	19	force calls	50.49		50	50.49	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
pele-lbfgs	Minimizers	20	force calls	51	51		51	0	0	0 failed	100
eOn (r2030) · eon-lbfgs	Minimizers	21	force calls	52	52		52	0	0	0 failed	100
ASE (3.29.0) · BFGS	Minimizers	22	force calls	53.36		54	53.36	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
ASE (3.29.0) · LBFGS	Minimizers	23	force calls	53.36		54	53.36	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
ASE (3.6.0) · ase-lbfgs	Minimizers	24	force calls		53.8		53.8	0	0	not recorded	100
rgmin (0.4.0) · BFGS	Minimizers	25	force calls	54.04		50	54.04	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.1) · BFGS	Minimizers	26	force calls	54.04		50	54.04	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
eOn (3.6.0) · LBFGS	Minimizers	27	force calls	54.18		53	54.18	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.0) · CG	Minimizers	28	force calls	54.72		54	54.72	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.1) · SR2	Minimizers	29	force calls	59.53		61	59.53	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
ASE (3.29.0) · PreconLBFGS	Minimizers	30	force calls	59.83		44	59.83	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.1) · SR1	Minimizers	31	force calls	61.53		65.5	61.53	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.1) · QUICKMIN	Minimizers	32	force calls	61.75		61	61.75	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.0) · QUICKMIN	Minimizers	33	force calls	62.03		62	62.03	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
eOn (r2030) · eon-sd-twopoint	Minimizers	34	force calls	64	64		64	0	0	0 failed	100
rgmin (0.4.1) · SD	Minimizers	35	force calls	90.48		89	90.48	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
pele (0.1.2) · LBFGS	Minimizers	36	force calls	92.06		73	92.06	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
pele (0.1.2) · MYLBFGS	Minimizers	37	force calls	92.06		73	92.06	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.0) · SD	Minimizers	38	force calls	96.59		97	96.59	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
eOn (r2030) · eon-cg	Minimizers	39	force calls	106	106		106	0	0	0 failed	100
rgmin (0.4.1) · FIRE	Minimizers	40	force calls	113.19		113	113.19	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
ASE (3.29.0) · FIRE	Minimizers	41	force calls	113.36		112	113.36	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.0) · FIRE	Minimizers	42	force calls	116.19		119	116.19	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
pele (0.1.2) · FIRE	Minimizers	43	force calls	118.84		121	118.84	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.0) · FIRE2	Minimizers	44	force calls	121.85		124	121.85	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.1) · FIRE2	Minimizers	45	force calls	121.85		124	121.85	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
ASE (3.6.0) · ase-fire	Minimizers	46	force calls		147.47		147.47	0	0	not recorded	100
eOn (r2030) · eon-fire	Minimizers	47	force calls	156	156		156	0	0	0 failed	100
eOn (r2030) · eon-sd	Minimizers	48	force calls	196	196		196	0	0	0 failed	100
rgmin (0.4.1) · ADAM	Minimizers	49	force calls	219.34		222	219.34	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.0) · ADAM	Minimizers	50	force calls	285.73		285	285.73	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.0) · SR2	Minimizers	51	force calls	341.13		334	341.13	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
ASE (3.29.0) · PreconFIRE	Minimizers	52	force calls	363.32		371	363.32	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
rgmin (0.4.0) · NEWTON	Minimizers	53	force calls	396.69		8	296.69	295.69		crash 0, divergence 0, cap 1, wrong_stationary 0	100
rgmin (0.4.0) · SR1	Minimizers	54	force calls	566.31		137	366.31	0	0	crash 0, divergence 0, cap 2, wrong_stationary 0	100
DL-FIND (0.0.3) · L-BFGS	Minimizers	55	force calls	13626.5		74.5	80.42	0	0	crash 0, divergence 0, cap 0, wrong_stationary 68	100
rgmin (0.4.0) · BB	Minimizers	56	force calls	15606.6		10000	7806.64	0	0	crash 0, divergence 0, cap 78, wrong_stationary 0	100
rgmin (0.4.0) · DIIS	Minimizers	57	force calls	16153.4		10000	8153.43	0	0	crash 0, divergence 0, cap 80, wrong_stationary 0	100
DL-FIND (0.0.3) · conjugate gradient	Minimizers	58	force calls	16449.2		234.5	247.59	0	0	crash 0, divergence 0, cap 0, wrong_stationary 82	100
OPTIM (svn-snapshot) · L-BFGS	Minimizers	59	force calls	17408.8		65	65.19	0	0	crash 0, divergence 0, cap 0, wrong_stationary 87	100
DL-FIND (0.0.3) · steepest descent	Minimizers	60	force calls	17438.6		264	282.19	0	0	crash 0, divergence 0, cap 0, wrong_stationary 87	100
TSASE (1.0) · SDLBFGS	Minimizers	61	force calls	17606.4		50	50.37	0	0	crash 0, divergence 0, cap 0, wrong_stationary 88	100
LAMMPS (30 Sep 2026) · FIRE	Minimizers	62	force calls	17656.7		478	473.48	0	0	crash 0, divergence 0, cap 0, wrong_stationary 88	100
LAMMPS (30 Sep 2026) · conjugate gradient	Minimizers	63	force calls	19004.7		95.5	100.24	0	0	crash 0, divergence 0, cap 0, wrong_stationary 95	100
LAMMPS (30 Sep 2026) · Quickmin	Minimizers	64	force calls	19150.8		1695.5	2050.36	0	0	crash 0, divergence 0, cap 0, wrong_stationary 95	100
LAMMPS (30 Sep 2026) · steepest descent	Minimizers	65	force calls	19211.2		258.5	262.2	0	0	crash 0, divergence 0, cap 0, wrong_stationary 96	100
LAMMPS (30 Sep 2026) · Hessian-free truncated Newton	Minimizers	66	force calls	19415		480	512.54	0	0	crash 0, divergence 0, cap 0, wrong_stationary 97	100
pele (0.1.2) · steepest descent	Minimizers	67	force calls	20000		10000	10000	0	0	crash 0, divergence 0, cap 100, wrong_stationary 0	100

Not scored

• eOn: no per-start record
• eOn: no per-start record
• eOn: no per-start record
• eOn: no per-start record
• Eon svn: no per-start record
• Eon svn: no per-start record
• Eon svn: no per-start record
• Eon svn: no per-start record
• AseMorseGpminTuned: AseMorseGpminTuned ("'0'", "'pos_0000.con'") track_force_calls was skipped or failed