rgsaddle

rgsaddle is used for saddle search. 0.2.2 at main c0db2b8d.

Versions

Registry pins for this code.

Role	Ref	Commit	Source
saddle search	main	c0db2b8d333c	https://github.com/OmniPotentRPC/rgsaddle

Best cost

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

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

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

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

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

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

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

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

Results

Ranked rows for this code, one version and one method on each row. 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. Scoring rules.

Every ranked row for this code. Select a column heading to sort.

Suite	Problem	Row	Family	Family rank	Unit	PAR-2	Published	Median calls	Mean calls	Hessians	FD calls	Failures	Runs
Double-ended saddle search	LJ38 double-ended saddle	rgsaddle (0.2.2) · CI-NEB energy-weighted	Band / NEB	9	force calls	2145.72		1461.5	1595.72	0	0	crash 0, divergence 0, cap 11, wrong_stationary 0	50
Double-ended saddle search	LJ38 double-ended saddle	rgsaddle (0.2.2) · CI-NEB	Band / NEB	10	force calls	2272.18		1484.5	1617.82	0	0	crash 0, divergence 1, cap 12, wrong_stationary 0	50
Double-ended saddle search	LJ38 double-ended saddle	rgsaddle (0.2.2) · OCI-NEB	Band / NEB	11	force calls	2289.86		1508.5	1639.86	0	0	crash 0, divergence 0, cap 13, wrong_stationary 0	50
Double-ended saddle search	LJ38 double-ended saddle	rgsaddle (0.2.2) · IDPP CI-NEB	Band / NEB	12	force calls	2374.04		1614.5	1670.18	0	0	crash 0, divergence 1, cap 13, wrong_stationary 0	50
Double-ended saddle search	LJ38 double-ended saddle	rgsaddle (0.2.2) · S-IDPP CI-NEB	Band / NEB	14	force calls	2473.46		1454.5	1664.2	0	0	crash 0, divergence 1, cap 15, wrong_stationary 0	50
Double-ended saddle search	LJ38 double-ended saddle	rgsaddle (0.2.2) · NEB	Band / NEB	21	force calls	5000		2478.5	2126.6	0	0	crash 0, divergence 25, cap 25, wrong_stationary 0	50
Double-ended saddle search	Lennard-Jones 38 transition-state separation	rgsaddle (0.2.2) · CI-NEB energy-weighted	Band / NEB	7	force calls	266216		10000	6803.94	0	0	crash 0, divergence 0, cap 27, wrong_stationary 0	51
Double-ended saddle search	Lennard-Jones 38 transition-state separation	rgsaddle (0.2.2) · CI-NEB	Band / NEB	12	force calls	402545		10000	8309.86	0	0	crash 0, divergence 0, cap 37, wrong_stationary 4	51
Double-ended saddle search	Lennard-Jones 38 transition-state separation	rgsaddle (0.2.2) · OCI-NEB	Band / NEB	13	force calls	402564		10000	8470.33	0	0	crash 0, divergence 0, cap 38, wrong_stationary 3	51
Double-ended saddle search	Lennard-Jones 38 transition-state separation	rgsaddle (0.2.2) · IDPP CI-NEB	Band / NEB	16	force calls	431764		10000	8882.94	0	0	crash 0, divergence 0, cap 41, wrong_stationary 3	51
Double-ended saddle search	Lennard-Jones 38 transition-state separation	rgsaddle (0.2.2) · S-IDPP CI-NEB	Band / NEB	17	force calls	441455		10000	8880.2	0	0	crash 0, divergence 0, cap 41, wrong_stationary 4	51
Double-ended saddle search	Lennard-Jones 38 transition-state separation	rgsaddle (0.2.2) · NEB	Band / NEB	24	force calls	500000		10000	9773.86	0	0	crash 0, divergence 3, cap 45, wrong_stationary 3	51
Double-ended saddle search	Pt heptamer island	rgsaddle (0.2.2) · CI-NEB energy-weighted	Band / NEB	9	force calls	938.102		478	561.644	0	0	crash 0, divergence 2, cap 0, wrong_stationary 2	59
Double-ended saddle search	Pt heptamer island	rgsaddle (0.2.2) · OCI-NEB	Band / NEB	11	force calls	975.983		602	823.441	0	0	crash 0, divergence 0, cap 3, wrong_stationary 0	59
Double-ended saddle search	Pt heptamer island	rgsaddle (0.2.2) · IDPP CI-NEB	Band / NEB	12	force calls	1062.46		491	585.729	0	0	crash 0, divergence 5, cap 0, wrong_stationary 0	59
Double-ended saddle search	Pt heptamer island	rgsaddle (0.2.2) · CI-NEB	Band / NEB	13	force calls	1078.42		479	601.542	0	0	crash 0, divergence 5, cap 0, wrong_stationary 0	59
Double-ended saddle search	Pt heptamer island	rgsaddle (0.2.2) · S-IDPP CI-NEB	Band / NEB	15	force calls	1134.93		461	607.153	0	0	crash 0, divergence 5, cap 1, wrong_stationary 0	59
Double-ended saddle search	Pt heptamer island	rgsaddle (0.2.2) · NEB	Band / NEB	21	force calls	6000		533	744.475	0	0	crash 0, divergence 56, cap 3, wrong_stationary 0	59
Lowest eigenvector	Lennard-Jones 38	rgsaddle (0.2.2) · Lanczos	Minimum mode	3	force calls	26.12		26	26.12	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	200
Lowest eigenvector	Lennard-Jones 38	rgsaddle (0.2.2) · Dimer	Minimum mode	18	force calls	31.4		23	31.4	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	200
Nudged elastic band	Pt heptamer island	rgsaddle (0.2.2) · S-IDPP CI-NEB	Band / NEB	4	force calls per band	732.462		682	732.462	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	13
Nudged elastic band	Pt heptamer island	rgsaddle (0.2.2) · IDPP CI-NEB	Band / NEB	5	force calls per band	735.538		706	735.538	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	13
Nudged elastic band	Pt heptamer island	rgsaddle (0.2.2) · CI-NEB	Band / NEB	6	force calls per band	736.769		698	736.769	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	13
Nudged elastic band	Pt heptamer island	rgsaddle (0.2.2) · CI-NEB energy-weighted	Band / NEB	7	force calls per band	759.692		740	759.692	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	13
Nudged elastic band	Pt heptamer island	rgsaddle (0.2.2) · OCI-NEB	Band / NEB	8	force calls per band	760.769		722	760.769	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	13
Nudged elastic band	Pt heptamer island	rgsaddle (0.2.2) · NEB	Band / NEB	14	force calls per band	20000		962	970.615	0	0	crash 0, divergence 13, cap 0, wrong_stationary 0	13
Saddle search	Pt heptamer island	rgsaddle (0.2.2) · Dimer FIRE	Minimum mode	2	force calls per search	10128		1013	1011.03	0	0	crash 0, divergence 1, cap 19999, wrong_stationary 0	20000
Saddle search	Pt heptamer island	rgsaddle (0.2.2) · Dimer L-BFGS	Minimum mode	3	force calls per search	10128		1013	1012.16	0	0	crash 0, divergence 0, cap 20000, wrong_stationary 0	20000
Saddle search	Pt heptamer island	rgsaddle (0.2.2) · Dimer rotation-skip L-BFGS	Minimum mode	4	force calls per search	10128		441	479.98	0	0	crash 0, divergence 19718, cap 262, wrong_stationary 20	20000
Saddle search	Pt heptamer island	rgsaddle (0.2.2) · Lanczos L-BFGS	Minimum mode	5	force calls per search	10128		1002	998.34	0	0	crash 0, divergence 4068, cap 15932, wrong_stationary 0	20000
Transition state optimization	Lennard-Jones 38	rgsaddle (0.2.2) · Dimer rotation-skip L-BFGS	Minimum mode	11	force calls	7803.19		856.5	2926.82	0	0	crash 0, divergence 0, cap 27, wrong_stationary 47	200
Transition state optimization	Lennard-Jones 38	rgsaddle (0.2.2) · P-RFO	Single-ended saddle	6	force calls	15147		460.5	723.265	0	0	crash 0, divergence 0, cap 3, wrong_stationary 147	200
Transition state optimization	Lennard-Jones 38	rgsaddle (0.2.2) · Lanczos L-BFGS	Minimum mode	12	force calls	19418.8		10011	9779.39	0	0	crash 0, divergence 0, cap 193, wrong_stationary 0	200
Transition state optimization	Lennard-Jones 38	rgsaddle (0.2.2) · Dimer FIRE	Minimum mode	13	force calls	19455		3666	4792.34	0	0	crash 0, divergence 164, cap 28, wrong_stationary 0	200
Transition state optimization	Lennard-Jones 38	rgsaddle (0.2.2) · Dimer L-BFGS	Minimum mode	15	force calls	20000		10011	9991.44	0	0	crash 0, divergence 0, cap 199, wrong_stationary 1	200
Transition state optimization	Pt heptamer island	rgsaddle (0.2.2) · Dimer rotation-skip L-BFGS	Minimum mode	10	force calls	223.898		145	223.898	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49
Transition state optimization	Pt heptamer island	rgsaddle (0.2.2) · Dimer FIRE	Minimum mode	13	force calls	3274.14		2337	3070.14	0	0	crash 0, divergence 0, cap 1, wrong_stationary 0	49
Transition state optimization	Pt heptamer island	rgsaddle (0.2.2) · Lanczos L-BFGS	Minimum mode	14	force calls	9736.8		974	5048.08	0	0	crash 0, divergence 0, cap 23, wrong_stationary 0	49
Transition state optimization	Pt heptamer island	rgsaddle (0.2.2) · Dimer L-BFGS	Minimum mode	15	force calls	11854.5		10011	6146.45	0	0	crash 0, divergence 0, cap 28, wrong_stationary 0	49