pele

pele is used for minimization. 0.1.2 at main b7081b93, built from source.

Versions

Registry pins for this code.

Role	Ref	Commit	Source
minimization	main	b7081b932a06	https://github.com/pele-python/pele

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.

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	pele · hybrid eigenvector following	Connect / double-ended	2	force calls	293	293	222	293	0	0	0 failed	50
Double-ended saddle search	Lennard-Jones 38 transition-state separation	pele · DNEB + hybrid eigenvector following	Connect / double-ended	2	force calls	52961.9	25022	20638	25022	0	0	3 failed, class not recorded	51
Double-ended saddle search	Pt heptamer island	pele · hybrid eigenvector following	Connect / double-ended	4	force calls	449.746	255	244	255	0	0	2 failed, class not recorded	59
Global optimization	Lennard-Jones 38 global minimum	pele · hybrid eigenvector following	Connect / double-ended	1	force calls		521595	320504	521595	0	0	0 failed	100
Lowest eigenvector	Lennard-Jones 38	pele · hybrid eigenvector following	Connect / double-ended	2	force calls	25	25		25	0	0	0 failed	200
Minimization	Lennard-Jones 38 clusters	pele-lbfgs-M100-maxstep0.2	Minimizers	8	force calls	179	179		179	0	0	0 failed	1000
Minimization	Lennard-Jones 38 clusters	pele · lbfgs_scipy	Minimizers	13	force calls	230	230		230	0	0	0 failed	1000
Minimization	Lennard-Jones 38 clusters	pele (0.1.2) · MYLBFGS	Minimizers	16	force calls	268.036		235	248.224	0	0	crash 0, divergence 0, cap 0, wrong_stationary 1	1000
Minimization	Lennard-Jones 38 clusters	pele (0.1.2) · LBFGS	Minimizers	18	force calls	288.145		235	248.601	0	0	crash 0, divergence 0, cap 0, wrong_stationary 2	1000
Minimization	Lennard-Jones 38 clusters	pele-fire	Minimizers	35	force calls	709	709		709	0	0	0 failed	1000
Minimization	Lennard-Jones 38 clusters	pele (0.1.2) · FIRE	Minimizers	51	force calls	2141.38		739	1325.29	0	0	crash 0, divergence 0, cap 7, wrong_stationary 41	1000
Minimization	Lennard-Jones 38 clusters	pele (0.1.2) · steepest descent	Minimizers	72	force calls	20000		10000	10000	0	0	crash 0, divergence 0, cap 1000, wrong_stationary 0	1000
Minimization	Lennard-Jones 38 clusters with Gaussian force noise	pele (0.1.2) · MYLBFGS	Minimizers	5	force calls	268.036		235	248.224	0	0	crash 0, divergence 0, cap 0, wrong_stationary 1	1000
Minimization	Lennard-Jones 38 clusters with Gaussian force noise	pele (0.1.2) · LBFGS	Minimizers	6	force calls	288.145		235	248.601	0	0	crash 0, divergence 0, cap 0, wrong_stationary 2	1000
Minimization	Lennard-Jones 38 clusters with Gaussian force noise	pele (0.1.2) · FIRE	Minimizers	18	force calls	1909.56		614.5	776.029	0	0	crash 0, divergence 16, cap 0, wrong_stationary 43	1000
Minimization	Lennard-Jones 38 clusters with Gaussian force noise	pele (0.1.2) · steepest descent	Minimizers	25	force calls	19975.4		10000	9923.97	0	0	crash 0, divergence 5, cap 980, wrong_stationary 13	1000
Minimization	Morse bulk	pele-lbfgs	Minimizers	20	force calls	51	51		51	0	0	0 failed	100
Minimization	Morse bulk	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
Minimization	Morse bulk	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
Minimization	Morse bulk	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
Minimization	Morse bulk	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
Transition state optimization	Lennard-Jones 38	pele · hybrid eigenvector following	Connect / double-ended	2	force calls	192	192	150	192	0	0	0 failed	200
Transition state optimization	Pt heptamer island	pele · hybrid eigenvector following	Connect / double-ended	2	force calls	88	88	78	88	0	0	0 failed	49