Match comparison for Hartree energy (match type 30592)

Commits > Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.954895868660000e+03 4.100000000000000e-05 3.954895867906765e+03 1.975173420042947e-06 3.954895873300000e+03 5.949999831500463e-06 PASS

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Detailed information

Reference: 3954.89586866, precision: 0.000041
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] 3.954895867560000e+03 -1.099999735743040e-06 -2.682926184739122e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] 3.954895867560000e+03 -1.099999735743040e-06 -2.682926184739122e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_min_autotools: [foss2022a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss_min_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_min_autotools: [foss2023b-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss_autotools: [foss2022a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss_opt_autotools: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss_autotools: [foss2023b-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
intel_autotools: [intel2023a-serial] 3.954895867590000e+03 -1.070000053005060e-06 -2.609756226841610e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_omp_autotools: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
intel_omp_autotools: [intel2022a-serial] 3.954895867350000e+03 -1.309999788645655e-06 -3.195121435721109e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
intel_omp_autotools: [intel2023a-serial] 3.954895867580000e+03 -1.079999947251054e-06 -2.634146212807448e-02 PASS
foss_debug_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.954895879250000e+03 1.058999987435527e-05 2.582926798623237e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.954895867540000e+03 -1.119999978982378e-06 -2.731707265810678e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -2.731707265810678e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS