geodesic

geodesic is used for band initialiser. geodesic-interpolate 1.0.0 at 476aa041.

Versions

Registry pins for this code.
RoleRefCommitSource
band initialiser main 476aa041f562 https://github.com/virtualzx-nad/geodesic-interpolate

Best cost

Best cost for LJ38 double-ended saddleLJ38 double-ended saddle10²10³10⁴cost (force calls, log scale)OPTIM: 131OPTIM131Eon svn: 235.2Eon svn235.2eOn: 259.46eOn259.46pele: 293pele293geodesic: 1208.42geodesic1208.42COMPASS: 1517.3COMPASS1517.3Sella: 2055.3Sella2055.3rgsaddle: 2145.72rgsaddle2145.72TSASE: 3119.56TSASE3119.56LAMMPS: 4526.2LAMMPS4526.2ASE: 4912.84ASE4912.84
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 38 transition-state separationLennard-Jones 38 transition-state separation10²10³10⁴10⁵10⁶cost (force calls, log scale)Eon svn: 502.784Eon svn502.784eOn: 520.333eOn520.333OPTIM: 2885OPTIM2885Sella: 31447.3Sella31447.3pele: 52961.9pele52961.9COMPASS: 100831COMPASS100831rgsaddle: 266216rgsaddle266216geodesic: 412102geodesic412102ASE: 444244ASE444244TSASE: 451753TSASE451753LAMMPS: 451959LAMMPS451959
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Pt heptamer islandPt heptamer island10²10³10⁴cost (force calls, log scale)OPTIM: 103OPTIM103Eon svn: 110Eon svn110pele: 449.746pele449.746geodesic: 824.119geodesic824.119ASE: 926.475ASE926.475rgsaddle: 938.102rgsaddle938.102Sella: 968.525Sella968.525COMPASS: 1078.12COMPASS1078.12TSASE: 2524.53TSASE2524.53LAMMPS: 2668.64LAMMPS2668.64eOn: 3080.19eOn3080.19
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Pt heptamer islandPt heptamer island10²10³10⁴cost (force calls, log scale)geodesic: 318.923geodesic318.923eOn: 319.538eOn319.538Eon svn: 336.769Eon svn336.769COMPASS: 561.462COMPASS561.462ASE: 606.923ASE606.923rgsaddle: 732.462rgsaddle732.462LAMMPS: 1398.46LAMMPS1398.46TSASE: 1521.15TSASE1521.15
A shorter bar is a lower cost on a log scale shared by the codes of this problem.

Results

Ranked rows for this code, one version and one method on each row. 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. Scoring rules.

Every ranked row for this code. Select a column heading to sort.
SuiteProblemRowFamilyFamily rankUnitPAR-2PublishedMedian callsMean callsHessiansFD callsFailuresRuns
Double-ended saddle search LJ38 double-ended saddle geodesic (1.0.0) · CI-NEB-LBFGS geodesic Band / NEB 3 force calls 1208.42 512 768.74 0 0 crash 0, divergence 3, cap 4, wrong_stationary 0 50
Double-ended saddle search LJ38 double-ended saddle geodesic (1.0.0) · CI-NEB geodesic Band / NEB 13 force calls 2452.66 1629.5 1643.74 0 0 crash 0, divergence 2, cap 14, wrong_stationary 0 50
Double-ended saddle search LJ38 double-ended saddle geodesic (1.0.0) · NEB-FIRE geodesic Band / NEB 17 force calls 4889.98 2500 2489.98 0 0 crash 0, divergence 0, cap 48, wrong_stationary 0 50
Double-ended saddle search Lennard-Jones 38 transition-state separation geodesic (1.0.0) · CI-NEB-LBFGS geodesic Band / NEB 14 force calls 412102 10000 8401.49 0 0 crash 0, divergence 0, cap 38, wrong_stationary 4 51
Double-ended saddle search Lennard-Jones 38 transition-state separation geodesic (1.0.0) · CI-NEB geodesic Band / NEB 15 force calls 412455 10000 8769.92 0 0 crash 0, divergence 0, cap 38, wrong_stationary 4 51
Double-ended saddle search Lennard-Jones 38 transition-state separation geodesic (1.0.0) · NEB-FIRE geodesic Band / NEB 23 force calls 500000 10000 10000 0 0 crash 0, divergence 0, cap 51, wrong_stationary 0 51
Double-ended saddle search Pt heptamer island geodesic (1.0.0) · NEB-FIRE geodesic Band / NEB 7 force calls 824.119 716 773.271 0 0 crash 0, divergence 0, cap 1, wrong_stationary 0 59
Double-ended saddle search Pt heptamer island geodesic (1.0.0) · CI-NEB-LBFGS geodesic Band / NEB 14 force calls 1115.25 209 223.847 0 0 crash 0, divergence 9, cap 0, wrong_stationary 0 59
Double-ended saddle search Pt heptamer island geodesic (1.0.0) · CI-NEB geodesic Band / NEB 16 force calls 1462.14 491 604.746 0 0 crash 0, divergence 9, cap 0, wrong_stationary 0 59
Nudged elastic band Pt heptamer island geodesic (1.0.0) · CI-NEB-LBFGS geodesic Band / NEB 1 force calls per band 318.923 314 318.923 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 13
Nudged elastic band Pt heptamer island geodesic (1.0.0) · NEB-FIRE geodesic Band / NEB 2 force calls per band 543.538 522 543.538 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 13
Nudged elastic band Pt heptamer island geodesic (1.0.0) · CI-NEB geodesic Band / NEB 9 force calls per band 762.615 762 762.615 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 13