Minimization

Minimization compares 3 problems.

  • Lennard-Jones 38 clusters
  • Lennard-Jones 38 clusters with Gaussian force noise
  • Morse bulk
Problems3
Codes14

Charts

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.

SVG file

Minimization best ranked cost
Minimization 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 Lennard-Jones 38 clusters unknown 79 79 100.0% 79
2 Lennard-Jones 38 clusters rgmin 81.881 928.197 100.0% 81.881
3 Lennard-Jones 38 clusters TSASE 166 257.2 100.0% 166
4 Lennard-Jones 38 clusters OPTIM 176 223.171 100.0% 176
5 Lennard-Jones 38 clusters pele 179 288.145 100.0% 179
6 Lennard-Jones 38 clusters eOn 180.137 180.137 100.0% 180.137
7 Lennard-Jones 38 clusters Eon svn 181 635 100.0% 181
8 Lennard-Jones 38 clusters DL-FIND 231.908 3048.62 99.8% 231.908
9 Lennard-Jones 38 clusters GMIN 301.399 301.399 99.7% 301.399
10 Lennard-Jones 38 clusters ASE 374.645 656 99.9% 374.645
11 Lennard-Jones 38 clusters vc-SQNM 598.05 598.05 98.9% 598.05
12 Lennard-Jones 38 clusters Sella 710.089 710.089 100.0% 710.089
13 Lennard-Jones 38 clusters LAMMPS 1123.81 4361.3 99.7% 1123.81
14 Lennard-Jones 38 clusters pysisyphus 15124.7 16094.8 25.4% 15124.7
1 Lennard-Jones 38 clusters with Gaussian force noise rgmin 81.881 197.228 100.0% 81.881
2 Lennard-Jones 38 clusters with Gaussian force noise DL-FIND 231.908 2747.86 99.8% 231.908
3 Lennard-Jones 38 clusters with Gaussian force noise pele 268.036 1098.85 99.9% 268.036
4 Lennard-Jones 38 clusters with Gaussian force noise Eon svn 300.052 300.052 99.5% 300.052
5 Lennard-Jones 38 clusters with Gaussian force noise GMIN 301.399 301.399 99.7% 301.399
6 Lennard-Jones 38 clusters with Gaussian force noise ASE 396.55 555.614 99.4% 396.55
7 Lennard-Jones 38 clusters with Gaussian force noise vc-SQNM 598.05 598.05 98.9% 598.05
8 Lennard-Jones 38 clusters with Gaussian force noise Sella 729.433 729.433 99.9% 729.433
9 Lennard-Jones 38 clusters with Gaussian force noise LAMMPS 1123.81 3138.21 99.7% 1123.81
1 Morse bulk rgmin 8.35 61.89 100.0% 8.35
2 Morse bulk TSASE 19 8812.68 100.0% 19
3 Morse bulk Sella 28.89 28.89 100.0% 28.89
4 Morse bulk ASE 28.91 53.58 100.0% 28.91
5 Morse bulk GMIN 34.4 34.4 100.0% 34.4
6 Morse bulk vc-SQNM 40.51 44.62 100.0% 40.51
7 Morse bulk OPTIM 46 8727.4 100.0% 46
8 Morse bulk pele 51 92.06 100.0% 51
9 Morse bulk Eon svn 52 106 100.0% 52
10 Morse bulk eOn 54.18 54.18 100.0% 54.18
11 Morse bulk DL-FIND 13626.5 16449.2 32.0% 13626.5
12 Morse bulk LAMMPS 17656.7 19150.8 12.0% 17656.7

Problems

Problems in this suite.
ProblemSystemAtomsRuns
Lennard-Jones 38 clusters Lennard-Jones 38 1000
Lennard-Jones 38 clusters with Gaussian force noise Lennard-Jones 38 1000
Morse bulk Morse — 100

A dash means the problem file does not state an atom count.