TIP4P 15

SystemTIP4P, N=15

Atoms—¹

Runs500

Cap10000000 force calls

¹ The problem file does not state an atom count.

The main metric is Force calls. Scoring rules.

Charts

Cost distribution of 2 ranked rows. Linear bins, from 625362 to 670645.

No performance profile. The ranked rows have no per-start record.

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 the log scale for that problem. Select a column heading to sort.
Rank	Code	Best	Median	Success	PAR-2
1	GMIN	625362	648004	100.0%	625362

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

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 · linear temperature basin-paving	625362	force calls	0	0	500
2	GMIN · basin-hopping	670645	force calls	0	0	500

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 · linear temperature basin-paving	Basin hopping / global	1	force calls	625362	625362	416929	625362	0	0	0 failed	500
GMIN · basin-hopping	Basin hopping / global	2	force calls	670645	670645	490919	670645	0	0	0 failed	500