rgmin

rgmin is used for minimization. Minimizers, version 0.4.1, branch fix/default-cap-per-method.

Versions

Registry pins for this code.
RoleRefCommitSource
minimization fix/default-cap-per-method f15726f1c798 https://github.com/OmniPotentRPC/rgmin

Version history

rgmin on Lennard-Jones 38 clusters. Each point is one recorded version of one method. Versions run left to right in numeric order. PAR-2 is omitted where that row has none. No line is drawn across a missing value.
rgmin on Lennard-Jones 38 clusters. Each point is one recorded version of one method. Versions run left to right in numeric order. PAR-2 is omitted where that row has none. No line is drawn across a missing value. PDF.
rgmin on Morse bulk. Each point is one recorded version of one method. Versions run left to right in numeric order. PAR-2 is omitted where that row has none. No line is drawn across a missing value.
rgmin on Morse bulk. Each point is one recorded version of one method. Versions run left to right in numeric order. PAR-2 is omitted where that row has none. No line is drawn across a missing value. PDF.

Best cost

Best cost for Lennard-Jones 38 clustersLennard-Jones 38 clusters10¹10²10³10⁴10⁵cost (force calls, log scale)unknown: 79unknown79rgmin: 81.881rgmin81.881TSASE: 166TSASE166OPTIM: 176OPTIM176pele: 179pele179eOn: 180.137eOn180.137Eon svn: 181Eon svn181DL-FIND: 231.908DL-FIND231.908GMIN: 301.399GMIN301.399ASE: 374.645ASE374.645vc-SQNM: 598.05vc-SQNM598.05Sella: 710.089Sella710.089LAMMPS: 1123.81LAMMPS1123.81pysisyphus: 15124.7pysisyphus15124.7
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 38 clusters with Gaussian force noiseLennard-Jones 38 clusters with Gaussian force noise10¹10²10³10⁴cost (force calls, log scale)rgmin: 81.881rgmin81.881DL-FIND: 231.908DL-FIND231.908pele: 268.036pele268.036Eon svn: 300.052Eon svn300.052GMIN: 301.399GMIN301.399ASE: 396.55ASE396.55vc-SQNM: 598.05vc-SQNM598.05Sella: 729.433Sella729.433LAMMPS: 1123.81LAMMPS1123.81
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Morse bulkMorse bulk10⁰10¹10²10³10⁴10⁵cost (force calls, log scale)rgmin: 8.35rgmin8.35TSASE: 19TSASE19Sella: 28.89Sella28.89ASE: 28.91ASE28.91GMIN: 34.4GMIN34.4vc-SQNM: 40.51vc-SQNM40.51OPTIM: 46OPTIM46pele: 51pele51Eon svn: 52Eon svn52eOn: 54.18eOn54.18DL-FIND: 13626.5DL-FIND13626.5LAMMPS: 17656.7LAMMPS17656.7
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
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · DOGLEG Minimizers 2 force calls 81.881 79 81.881 80.881 9220.43 crash 0, divergence 0, cap 0, wrong_stationary 0 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · DOGLEG Minimizers 3 force calls 81.881 79 81.881 80.881 9220.43 crash 0, divergence 0, cap 0, wrong_stationary 0 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · NEWTON Minimizers 5 force calls 166.337 64 66.649 65.649 7483.99 crash 0, divergence 0, cap 0, wrong_stationary 5 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · NEWTON Minimizers 6 force calls 166.337 64 66.649 65.649 7483.99 crash 0, divergence 0, cap 0, wrong_stationary 5 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · LBFGS Minimizers 11 force calls 197.228 170 177.367 0 0 crash 0, divergence 0, cap 0, wrong_stationary 1 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · LBFGS Minimizers 12 force calls 197.228 170 177.367 0 0 crash 0, divergence 0, cap 0, wrong_stationary 1 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · BB Minimizers 29 force calls 639.474 471.5 521.461 0 0 crash 0, divergence 0, cap 0, wrong_stationary 6 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · BB Minimizers 30 force calls 639.474 471.5 521.461 0 0 crash 0, divergence 0, cap 0, wrong_stationary 6 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · CG Minimizers 32 force calls 669.237 538 591.346 0 0 crash 0, divergence 0, cap 0, wrong_stationary 4 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · CG Minimizers 33 force calls 669.237 538 591.346 0 0 crash 0, divergence 0, cap 0, wrong_stationary 4 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · FIRE Minimizers 39 force calls 769.36 625.5 711.609 0 0 crash 0, divergence 0, cap 0, wrong_stationary 3 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · FIRE Minimizers 40 force calls 769.36 625.5 711.609 0 0 crash 0, divergence 0, cap 0, wrong_stationary 3 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · FIRE2 Minimizers 42 force calls 845.947 639.5 730.952 0 0 crash 0, divergence 0, cap 0, wrong_stationary 6 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · FIRE2 Minimizers 43 force calls 845.947 639.5 730.952 0 0 crash 0, divergence 0, cap 0, wrong_stationary 6 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · BFGS Minimizers 44 force calls 1010.45 970 1010.45 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · BFGS Minimizers 45 force calls 1010.45 970 1010.45 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · QUICKMIN Minimizers 48 force calls 1933 1598 1897.22 0 0 crash 0, divergence 0, cap 0, wrong_stationary 2 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · QUICKMIN Minimizers 49 force calls 1933 1598 1897.22 0 0 crash 0, divergence 0, cap 0, wrong_stationary 2 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · DIIS Minimizers 50 force calls 1967.42 1652 1930.92 0 0 crash 0, divergence 0, cap 0, wrong_stationary 2 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · SR1 Minimizers 52 force calls 2185.66 1728 2093.01 0 0 crash 0, divergence 0, cap 2, wrong_stationary 4 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · SR2 Minimizers 53 force calls 2298.44 1837.5 2230.07 0 0 crash 0, divergence 0, cap 5, wrong_stationary 1 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · SD Minimizers 62 force calls 8392.75 6099 6350.19 0 0 crash 0, divergence 0, cap 200, wrong_stationary 3 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · SD Minimizers 63 force calls 8392.75 6099 6350.19 0 0 crash 0, divergence 0, cap 200, wrong_stationary 3 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.1) · ADAM Minimizers 64 force calls 13835.7 10000 8365.68 0 0 crash 0, divergence 0, cap 547, wrong_stationary 0 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · ADAM Minimizers 68 force calls 16420.2 10000 9110.16 0 0 crash 0, divergence 0, cap 731, wrong_stationary 0 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · SR1 Minimizers 69 force calls 19908.9 10000 8133.1 0 0 crash 0, divergence 196, cap 799, wrong_stationary 0 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · DIIS Minimizers 70 force calls 19945 10000 9836.21 0 0 crash 0, divergence 0, cap 964, wrong_stationary 32 1000
Minimization Lennard-Jones 38 clusters rgmin (0.4.0) · SR2 Minimizers 74 force calls 20000 10000 9990.45 0 0 crash 0, divergence 1, cap 999, wrong_stationary 0 1000
Minimization Lennard-Jones 38 clusters with Gaussian force noise rgmin (0.4.1) · DOGLEG Minimizers 1 force calls 81.881 79 81.881 80.881 9220.43 crash 0, divergence 0, cap 0, wrong_stationary 0 1000
Minimization Lennard-Jones 38 clusters with Gaussian force noise rgmin (0.4.1) · NEWTON Minimizers 2 force calls 166.337 64 66.649 65.649 7483.99 crash 0, divergence 0, cap 0, wrong_stationary 5 1000
Minimization Lennard-Jones 38 clusters with Gaussian force noise rgmin (0.4.1) · LBFGS Minimizers 3 force calls 197.228 170 177.367 0 0 crash 0, divergence 0, cap 0, wrong_stationary 1 1000
Minimization Lennard-Jones 38 clusters with Gaussian force noise rgmin (0.4.1) · CG Minimizers 13 force calls 669.237 538 591.346 0 0 crash 0, divergence 0, cap 0, wrong_stationary 4 1000
Minimization Lennard-Jones 38 clusters with Gaussian force noise rgmin (0.4.1) · FIRE Minimizers 15 force calls 769.36 625.5 711.609 0 0 crash 0, divergence 0, cap 0, wrong_stationary 3 1000
Minimization Morse bulk rgmin (0.4.1) · NEWTON Minimizers 1 force calls 8.35 9 8.35 7.35 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · DOGLEG Minimizers 2 force calls 10.11 10 10.11 9.11 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · DOGLEG Minimizers 3 force calls 10.11 10 10.11 9.11 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · LBFGS Minimizers 5 force calls 26.87 27 26.87 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · LBFGS Minimizers 6 force calls 27.05 27 27.05 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · DIIS Minimizers 7 force calls 27.44 28 27.44 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · BB Minimizers 10 force calls 33.22 34 33.22 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · CG Minimizers 19 force calls 50.49 50 50.49 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · BFGS Minimizers 25 force calls 54.04 50 54.04 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · BFGS Minimizers 26 force calls 54.04 50 54.04 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · CG Minimizers 28 force calls 54.72 54 54.72 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · SR2 Minimizers 29 force calls 59.53 61 59.53 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · SR1 Minimizers 31 force calls 61.53 65.5 61.53 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · QUICKMIN Minimizers 32 force calls 61.75 61 61.75 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · QUICKMIN Minimizers 33 force calls 62.03 62 62.03 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · SD Minimizers 35 force calls 90.48 89 90.48 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · SD Minimizers 38 force calls 96.59 97 96.59 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · FIRE Minimizers 40 force calls 113.19 113 113.19 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · FIRE Minimizers 42 force calls 116.19 119 116.19 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · FIRE2 Minimizers 44 force calls 121.85 124 121.85 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · FIRE2 Minimizers 45 force calls 121.85 124 121.85 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.1) · ADAM Minimizers 49 force calls 219.34 222 219.34 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · ADAM Minimizers 50 force calls 285.73 285 285.73 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · SR2 Minimizers 51 force calls 341.13 334 341.13 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · NEWTON Minimizers 53 force calls 396.69 8 296.69 295.69 crash 0, divergence 0, cap 1, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · SR1 Minimizers 54 force calls 566.31 137 366.31 0 0 crash 0, divergence 0, cap 2, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · BB Minimizers 56 force calls 15606.6 10000 7806.64 0 0 crash 0, divergence 0, cap 78, wrong_stationary 0 100
Minimization Morse bulk rgmin (0.4.0) · DIIS Minimizers 57 force calls 16153.4 10000 8153.43 0 0 crash 0, divergence 0, cap 80, wrong_stationary 0 100