Lennard-Jones 98

SystemLennard-Jones

Atoms98

Runs100

Cap1000000000 force calls

The main metric is Mean basin-hopping steps. Scoring rules.

Charts

Success rate on Lennard-Jones 98, in rank order. The rate is the share of runs that finished. 2 ranked rows did not record a success rate and are not drawn. PDF.

Dolan-Moré profile for Basin hopping / global on Lennard-Jones 98. 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. PDF.

Force calls on each recorded start for Lennard-Jones 98. The box is the quartiles of those counts. A blue point is a success and a vermillion cross is a recorded failure (0). The horizontal position is the recorded count. The vertical offset only keeps marks from covering one another. PDF.

Performance profile. Higher means more starts solved within that cost ratio.

• GMIN (df8da599) · basin-hopping with core-orbit symmetrisation
• GMIN (df8da599) · parallel tempering basin-hopping with core-orbit symmetrisation

Cost distribution of 2 ranked rows. Linear bins, from 282815 to 523212.

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	GMIN	282815	403014	100.0%	282815

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

Basin hopping / global

Basin hopping / global. 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	GMIN (df8da599) · basin-hopping with core-orbit symmetrisation	282815	force calls	0	0	100
2	GMIN (df8da599) · parallel tempering basin-hopping with core-orbit symmetrisation	523212	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
GMIN (df8da599) · basin-hopping with core-orbit symmetrisation	Basin hopping / global	1	force calls	282815		173058	282815	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100
GMIN (df8da599) · parallel tempering basin-hopping with core-orbit symmetrisation	Basin hopping / global	2	force calls	523212		403002	523212	0	0	crash 0, divergence 0, cap 0, wrong_stationary 0	100

A row that counts another unit is ranked in its own table after the overall table.

Ranked in quenches

These rows count quenches. The tables above count force calls, so these rows are ranked only among themselves.

The archived basin_hopping_steps_mean is the benchmark website's mean Q. That page benchmarks these entries on the number of quenches [Q] and the number of energy steps [V]. The harness rows count force calls, and no source equates an energy step with a force call.

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
GMIN · core orbits symmetrisation scheme	Basin hopping / global	1	quenches		1281.92			0	0	0 failed	100
GMIN · no symmetrisation	Basin hopping / global	2	quenches		43819.8			0	0	0 failed	100