TIP4P 20

SystemTIP4P, N=20

Atoms—¹

Runs100

Cap200000000 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 2.55667e+07 to 2.85967e+07.

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	2.55667e+07	2.70817e+07	100.0%	2.55667e+07

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	2.55667e+07	force calls	0	0	100
2	GMIN · basin-hopping	2.85967e+07	force calls	0	0	100

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	2.55667e+07	2.55667e+07	1.81821e+07	2.55667e+07	0	0	0 failed	100
GMIN · basin-hopping	Basin hopping / global	2	force calls	2.85967e+07	2.85967e+07	1.94671e+07	2.85967e+07	0	0	0 failed	100