Double-ended saddle search

Double-ended saddle search compares 3 problems.

• Lennard-Jones 38 transition-state separation
• LJ38 double-ended saddle
• Pt heptamer island

Problems3

Codes11

Charts

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.

SVG file

Double-ended saddle search best ranked cost. Select the plot for the full SVG.

Leaderboard

An archived row is ranked by its PAR-2 when its entry counts its failures, and otherwise by the average it published.

A shorter bar is a lower cost on the log scale for that problem. Select a column heading to sort.

Rank	Problem	Code	Best	Median	Success	PAR-2
1	Lennard-Jones 38 transition-state separation	Eon svn	502.784	681.784	100.0%	502.784
2	Lennard-Jones 38 transition-state separation	eOn	520.333	44040.5	100.0%	520.333
3	Lennard-Jones 38 transition-state separation	OPTIM	2885	2885	100.0%	2885
4	Lennard-Jones 38 transition-state separation	Sella	31447.3	31447.3	100.0%	31447.3
5	Lennard-Jones 38 transition-state separation	pele	52961.9	52961.9	94.1%	52961.9
6	Lennard-Jones 38 transition-state separation	COMPASS	100831	100831	80.4%	100831
7	Lennard-Jones 38 transition-state separation	rgsaddle	266216	417164	47.1%	266216
8	Lennard-Jones 38 transition-state separation	geodesic	412102	412455	17.6%	412102
9	Lennard-Jones 38 transition-state separation	ASE	444244	444244	11.8%	444244
10	Lennard-Jones 38 transition-state separation	TSASE	451753	475877	9.8%	451753
11	Lennard-Jones 38 transition-state separation	LAMMPS	451959	475980	9.8%	451959
1	LJ38 double-ended saddle	OPTIM	131	131	100.0%	131
2	LJ38 double-ended saddle	Eon svn	235.2	785.24	100.0%	235.2
3	LJ38 double-ended saddle	eOn	259.46	1010.08	100.0%	259.46
4	LJ38 double-ended saddle	pele	293	293	100.0%	293
5	LJ38 double-ended saddle	geodesic	1208.42	2452.66	86.0%	1208.42
6	LJ38 double-ended saddle	COMPASS	1517.3	1517.3	94.0%	1517.3
7	LJ38 double-ended saddle	Sella	2055.3	2055.3	100.0%	2055.3
8	LJ38 double-ended saddle	rgsaddle	2145.72	2331.95	78.0%	2145.72
9	LJ38 double-ended saddle	TSASE	3119.56	4059.78	52.0%	3119.56
10	LJ38 double-ended saddle	LAMMPS	4526.2	4737.95	16.0%	4526.2
11	LJ38 double-ended saddle	ASE	4912.84	4912.84	2.0%	4912.84
1	Pt heptamer island	OPTIM	103	211	100.0%	103
2	Pt heptamer island	Eon svn	110	225.881	100.0%	110
3	Pt heptamer island	pele	449.746	449.746	96.6%	449.746
4	Pt heptamer island	geodesic	824.119	1115.25	98.3%	824.119
5	Pt heptamer island	ASE	926.475	926.475	98.3%	926.475
6	Pt heptamer island	rgsaddle	938.102	1070.44	93.2%	938.102
7	Pt heptamer island	Sella	968.525	968.525	98.3%	968.525
8	Pt heptamer island	COMPASS	1078.12	1078.12	98.3%	1078.12
9	Pt heptamer island	TSASE	2524.53	4262.26	64.4%	2524.53
10	Pt heptamer island	LAMMPS	2668.64	3617.71	74.6%	2668.64
11	Pt heptamer island	eOn	3080.19	3080.19	64.4%	3080.19

Problems

Problems in this suite.

Problem	System	Atoms	Runs
Lennard-Jones 38 transition-state separation	Lennard-Jones	38	51
LJ38 double-ended saddle	Lennard-Jones	38	50
Pt heptamer island	Morse Pt	343	59