GMIN

GMIN is used for minimization and global optimization. Wales group GMIN.

Versions

Registry pins for this code.
RoleRefCommitSource
minimization svn.tar.bz2 latest https://www-wales.ch.cam.ac.uk/svn.tar.bz2
global optimization svn.tar.bz2 latest https://www-wales.ch.cam.ac.uk/svn.tar.bz2

Best cost

Best cost for Binary Lennard-Jones 100Binary Lennard-Jones 100GMIN: -589.507GMIN-589.507Eon svn: -584.579Eon svn-584.579
A cost at or below zero is left off the log scale, so this problem has no bar.
Best cost for Lennard-Jones 150Lennard-Jones 15010⁶10⁷cost (force calls, log scale)GMIN: 1.75804e+06GMIN1.75804e+06
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 38 global minimumLennard-Jones 38 global minimum10³10⁴10⁵10⁶cost (force calls, log scale)GMIN: 5883.83GMIN5883.83eOn: 503146eOn503146Eon svn: 508011Eon svn508011pele: 521595pele521595
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 75Lennard-Jones 7510⁴10⁵10⁶10⁷cost (force calls, log scale)GMIN: 60692GMIN60692ASE: 2e+06ASE2e+06
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 98Lennard-Jones 9810⁵10⁶cost (force calls, log scale)GMIN: 282815GMIN282815
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for TIP4P 10TIP4P 1010⁴10⁵cost (force calls, log scale)GMIN: 16099GMIN16099
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for TIP4P 15TIP4P 1510⁵10⁶cost (force calls, log scale)GMIN: 625362GMIN625362
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for TIP4P 20TIP4P 2010⁷10⁸cost (force calls, log scale)GMIN: 2.55667e+07GMIN2.55667e+07
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
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
Global optimization Binary Lennard-Jones 100 GMIN · basin-hopping Basin hopping / global 1 lowest energy (epsilon) -589.507 0 0 not recorded 100
Global optimization Lennard-Jones 150 GMIN · core orbits symmetrisation scheme Basin hopping / global 1 quenches 667.38 0 0 0 failed 100
Global optimization Lennard-Jones 150 GMIN · no symmetrisation Basin hopping / global 2 quenches 3280.89 0 0 0 failed 100
Global optimization Lennard-Jones 150 GMIN (df8da599) · basin-hopping Basin hopping / global 1 force calls 1.75804e+06 1.14412e+06 1.65804e+06 0 0 crash 0, divergence 0, cap 1, wrong_stationary 0 100
Global optimization Lennard-Jones 150 GMIN (df8da599) · parallel tempering basin-hopping Basin hopping / global 2 force calls 2.77178e+06 2.05174e+06 2.67178e+06 0 0 crash 0, divergence 0, cap 1, wrong_stationary 0 100
Global optimization Lennard-Jones 38 global minimum GMIN (df8da599) · basin-hopping with continuous symmetry measures Basin hopping / global 1 force calls 5883.83 3980.5 5883.83 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Global optimization Lennard-Jones 38 global minimum GMIN · basin-hopping with symmetrise csm moves Basin hopping / global 2 force calls 6421 4771 6421 0 0 0 failed 100
Global optimization Lennard-Jones 38 global minimum GMIN · basin-hopping with symmetrise moves Basin hopping / global 3 force calls 22711 15998 22711 0 0 0 failed 100
Global optimization Lennard-Jones 38 global minimum GMIN · basin-hopping Basin hopping / global 4 force calls 265951 202167 265951 0 0 0 failed 100
Global optimization Lennard-Jones 38 global minimum GMIN (df8da599) · basin-hopping Basin hopping / global 5 force calls 432092 301962 412092 0 0 crash 0, divergence 0, cap 1, wrong_stationary 0 100
Global optimization Lennard-Jones 38 global minimum GMIN (df8da599) · parallel tempering basin-hopping Basin hopping / global 9 force calls 674789 307290 554789 0 0 crash 0, divergence 0, cap 6, wrong_stationary 0 100
Global optimization Lennard-Jones 75 GMIN · basin-hopping with symmetrise csm moves Basin hopping / global 1 force calls 60692 60692 38118 60692 0 0 0 failed 200
Global optimization Lennard-Jones 75 GMIN (df8da599) · parallel tempering basin-hopping Basin hopping / global 2 force calls 1.96655e+06 1e+06 986545 0 0 crash 0, divergence 0, cap 196, wrong_stationary 0 200
Global optimization Lennard-Jones 75 GMIN (df8da599) · basin-hopping Basin hopping / global 3 force calls 1.99209e+06 1e+06 997087 0 0 crash 0, divergence 0, cap 199, wrong_stationary 0 200
Global optimization Lennard-Jones 98 GMIN · core orbits symmetrisation scheme Basin hopping / global 1 quenches 1281.92 0 0 0 failed 100
Global optimization Lennard-Jones 98 GMIN · no symmetrisation Basin hopping / global 2 quenches 43819.8 0 0 0 failed 100
Global optimization Lennard-Jones 98 GMIN (df8da599) · basin-hopping with core-orbit symmetrisation Basin hopping / global 1 force calls 282815 173058 282815 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Global optimization Lennard-Jones 98 GMIN (df8da599) · parallel tempering basin-hopping with core-orbit symmetrisation Basin hopping / global 2 force calls 523212 403002 523212 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100
Global optimization TIP4P 10 GMIN · linear temperature basin-paving Basin hopping / global 1 force calls 16099 16099 11387 16099 0 0 0 failed 10000
Global optimization TIP4P 10 GMIN · basin-hopping Basin hopping / global 2 force calls 16236 16236 11444 16236 0 0 0 failed 10000
Global optimization TIP4P 15 GMIN · linear temperature basin-paving Basin hopping / global 1 force calls 625362 625362 416929 625362 0 0 0 failed 500
Global optimization TIP4P 15 GMIN · basin-hopping Basin hopping / global 2 force calls 670645 670645 490919 670645 0 0 0 failed 500
Global optimization TIP4P 20 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
Global optimization TIP4P 20 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
Minimization Lennard-Jones 38 clusters GMIN (df8da5992675) · LBFGS Minimizers 19 force calls 301.399 223 242.093 0 0 crash 0, divergence 0, cap 0, wrong_stationary 3 1000
Minimization Lennard-Jones 38 clusters with Gaussian force noise GMIN (df8da5992675) · LBFGS Minimizers 8 force calls 301.399 223 242.093 0 0 crash 0, divergence 0, cap 0, wrong_stationary 3 1000
Minimization Morse bulk GMIN (df8da5992675) · LBFGS Minimizers 12 force calls 34.4 35 34.4 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 100