Match comparison for Total energy (match type 30589)

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.245067404600000e+02 6.810000000000000e-06 -3.245067411475000e+02 4.534589720758998e-08 -3.245067411000000e+02 1.600000132384594e-07 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -324.50674046, precision: 0.00000681
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_min_autotools: [foss2022a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -1.042584427014416e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_min_autotools: [foss2023b-serial] -3.245067411700000e+02 -7.099999947968172e-07 -1.042584427014416e-01 PASS
foss_min_autotools: [foss2023a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -1.042584427014416e-01 PASS
foss_autotools: [foss2023a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -1.042584427014416e-01 PASS
foss_autotools: [foss2022a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -1.042584427014416e-01 PASS
foss_autotools: [foss2023b-serial] -3.245067411700000e+02 -7.099999947968172e-07 -1.042584427014416e-01 PASS
foss_opt_autotools: [foss2023a-serial] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
intel_autotools: [intel2023a-serial] -3.245067411600000e+02 -6.999999868639861e-07 -1.027900127553577e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_omp_autotools: [foss2023a-serial] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.245067409400000e+02 -4.799999828719592e-07 -7.048457898266655e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.245067412200000e+02 -7.599999776175537e-07 -1.116005840848096e-01 PASS
foss_debug_autotools: [foss2023a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -1.042584427014416e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_cmake_ceph: [foss2022a-mpi, foss-min-mpi] -3.245067412600000e+02 -8.000000093488779e-07 -1.174743038691451e-01 PASS
foss_cmake_ceph: [foss2023a-mpi, foss-min-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.245067411500000e+02 -6.899999789311551e-07 -1.013215828092739e-01 PASS