Match comparison for Hartree energy (match type 30592)

Commits > Commit 94d58911903c32860449c62a795f2d74d19217f9 > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.954895868660000e+03 4.100000000000000e-05 3.954895867946470e+03 2.194582779081039e-06 3.954895873950000e+03 6.600000006073969e-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] 3.954895867620000e+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: [foss2023b-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-zen4: [foss2023a-mpi, foss-min-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-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_mpi_min_autotools: [foss2022a-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
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.954895867490000e+03 -1.169999904959695e-06 -2.853658304779745e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_debug_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -2.536585159804218e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.954895867530000e+03 -1.129999873228371e-06 -2.756097251776515e-02 PASS
intel_omp_autotools: [intel2023a-serial] 3.954895867580000e+03 -1.079999947251054e-06 -2.634146212807448e-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
foss_mpi_autotools: [foss2022a-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -2.731707265810678e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -2.707317279844840e-02 PASS
foss_ppc_autotools: [foss2022a-serial] 3.954895867540000e+03 -1.119999978982378e-06 -2.731707265810678e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.954895867630000e+03 -1.030000021273736e-06 -2.512195173838380e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.954895880550000e+03 1.189000022350228e-05 2.900000054512752e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.954895867600000e+03 -1.059999704011716e-06 -2.585365131735893e-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
intel_mpi_omp_autotools: [intel2022a-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