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  • Suites
    • Minimization
    • Saddle search
    • Double-ended saddle search
    • Global optimization
    • Lowest eigenvector
    • Transition state optimization
    • Machine learning optimization
    • Nudged elastic band
    • Harmonic transition state theory
    • Accelerated molecular dynamics
  • Board
  • Methodology
  • Codes
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Suites

  • Minimization
    • Lennard-Jones 38 clusters
    • Lennard-Jones 38 clusters with Gaussian force noise
    • Morse bulk
  • Saddle search
    • Pt heptamer island
  • Double-ended saddle search
    • Lennard-Jones 38 transition-state separation
    • LJ38 double-ended saddle
    • Pt heptamer island
  • Global optimization
    • Binary Lennard-Jones 100
    • Lennard-Jones 150
    • Lennard-Jones 38 global minimum
    • Lennard-Jones 75
    • Lennard-Jones 98
    • TIP4P 10
    • TIP4P 15
    • TIP4P 20
  • Lowest eigenvector
    • Lennard-Jones 38
  • Transition state optimization
    • H2 dissociation on a fixed Cu substrate
    • Lennard-Jones 38
    • Pt heptamer island
  • Machine learning optimization
    • EMT Pt 38 nanoparticle
    • Ethene
  • Nudged elastic band
    • Pt heptamer island
  • Harmonic transition state theory
    • EAM aluminum
    • Pt heptamer island
  • Accelerated molecular dynamics
    • Al adatom on Al(100) at 150 K
    • Al adatom on Al(100) at 250 K

How-to guides

  • Run a score

Reference

  • Board
  • Codes
    • eOn
    • Eon svn
    • rgmin
    • rgsaddle
    • geodesic
    • ASE
    • Sella
    • GMIN
    • pele
    • OptKing
    • pARTn
    • TSASE
    • pyKMC
    • LAMMPS
    • DL-FIND
    • COMPASS
    • pysisyphus
    • OPTIM
    • n2p2
    • AIRSS
    • vc-SQNM
    • SoftSaddle
    • GPRidge
    • unknown
    • Pyamff
    • Gman
  • Changelog

Explanation

  • Methodology

Archive

  • Archive
  1. OptBench /
  2. Saddle search

Saddle search

Saddle search compares 1 problem.

  • Pt heptamer island
Problems1
Codes4

Charts

Best cost for Pt heptamer islandPt heptamer island10³10⁴10⁵10⁶10⁷10⁸10⁹cost (force calls, log scale)Sella: 5201.62Sella5201.62SoftSaddle: 10124.2SoftSaddle10124.2rgsaddle: 10128rgsaddle10128eOn: 2e+08eOn2e+08
A shorter bar is a lower cost on a log scale shared by the codes of this problem.

SVG file

Saddle search best ranked cost
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.
RankProblemCodeBestMedianSuccessPAR-2
1 Pt heptamer island Sella 5201.62 5201.62 75.0% 5201.62
2 Pt heptamer island SoftSaddle 10124.2 10126.1 0.0% 10124.2
3 Pt heptamer island rgsaddle 10128 10128 0.0% 10128
4 Pt heptamer island eOn 2e+08 2e+08 0.0% 2e+08

Problems

Problems in this suite.
ProblemSystemAtomsRuns
Pt heptamer island Morse 343 —1

1 The problem file does not state a run count, and the ranked rows do not agree. They record 2 on eOn; 16 on Sella; 5000 on softsaddle; 20000 on rgsaddle.

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2026, Rohit Goswami

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