Match comparison for Total energy (match type 30589)

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.245067404600000e+02 6.810000000000000e-06 -3.245067411436666e+02 4.191128413396148e-08 -3.245067410800000e+02 1.399999973727972e-07 PASS

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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_cmake: [foss2022a-serial, foss-full] -3.245067411400000e+02 -6.799999709983240e-07 -9.985315286319001e-02 PASS
foss_min_autotools: [foss2023a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -1.042584427014416e-01 PASS
foss_min_autotools: [foss2023b-serial] -3.245067411700000e+02 -7.099999947968172e-07 -1.042584427014416e-01 PASS
foss_min_autotools: [foss2022a-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
foss_autotools: [foss2023a-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_autotools: [foss2022a-serial] -3.245067411700000e+02 -7.099999947968172e-07 -1.042584427014416e-01 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: [foss2022a-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_cmake: [foss2022a-mpi, foss-full-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
foss_mpi_opt_autotools: [foss2023a-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_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_mpi_autotools: [foss2022a-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_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
intel_mpi_autotools: [intel2023a-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_cuda_autotools: [foss2022a-cuda-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
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-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