Sella

Sella is used for minimization and saddle search and lowest eigenvector. Sella 2.6.0.

Versions

Registry pins for this code.

Role	Ref	Commit	Source
minimization and saddle search	2.6.0	6cfb60cdb100	https://github.com/zadorlab/sella
lowest eigenvector	0.1.1	0.1.1	https://github.com/zadorlab/sella

Version history

Sella on Lennard-Jones 38. 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.

Sella on Pt heptamer island. 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.

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.

A failure class marked inferred comes from a start file that records no class. A start with an error is crash, a start at or above the cap is cap, and any other failure is divergence unless its force norm is at or below the stop, which makes it wrong_stationary.

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	Sella (2.6.0) · Sella+NEB	Band / NEB	8	force calls	2055.3		2047.5	2055.3	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	50
Double-ended saddle search	Lennard-Jones 38 transition-state separation	Sella (2.6.0) · Sella+NEB	Band / NEB	2	force calls	31447.3		32178	31447.3	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	51
Double-ended saddle search	Pt heptamer island	Sella (2.6.0) · Sella+NEB	Band / NEB	10	force calls	968.525		756	921.847	0	0	crash 0, divergence 0, cap 1 (1 inferred), wrong_stationary 0	59
Lowest eigenvector	Lennard-Jones 38	Sella (0.1.1) · lowest eigenvector	Minimum mode	1	force calls	17.8		17	17.8	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	200
Lowest eigenvector	Lennard-Jones 38	Sella (0.1.1) · sella	Single-ended saddle	1	force calls	17.8	17.8		17.8	0	0	0 failed	200
Minimization	Lennard-Jones 38 clusters	Sella (2.6.0) · Sella	Minimizers	36	force calls	710.089		692.5	710.089	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	1000
Minimization	Lennard-Jones 38 clusters with Gaussian force noise	Sella (2.6.0) · Sella	Minimizers	14	force calls	729.433		691.5	710.211	0	0	crash 0, divergence 0, cap 0, wrong_stationary 1	1000
Minimization	Morse bulk	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
Saddle search	Pt heptamer island	Sella (2.6.0) · Sella	Single-ended saddle	1	force calls per search	5201.62		225	247.812	0	0	crash 0, divergence 0, cap 0, wrong_stationary 4	16
Transition state optimization	Lennard-Jones 38	Sella (2.6.0) · Sella	Single-ended saddle	1	force calls	68.74		59.5	68.74	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	200
Transition state optimization	Lennard-Jones 38	Sella (0.1.1) · sella	Single-ended saddle	2	force calls	69.55	69.55	64	69.55	0	0	0 failed	200
Transition state optimization	Pt heptamer island	Sella (0.1.1) · sella	Single-ended saddle	1	force calls	53	53	51	53	0	0	0 failed	49
Transition state optimization	Pt heptamer island	Sella (2.6.0) · Sella	Single-ended saddle	2	force calls	74.2857		71	74.2857	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	49