Match comparison for Hartree energy (match type 30592)

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.954895868660000e+03 1.280000000000000e-05 3.954895867697001e+03 7.357316483622953e-07 3.954895869500000e+03 2.150000000256114e-06 PASS

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Detailed information

Reference: 3954.89586866, precision: 0.0000128
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
foss_min_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -8.124999339997885e-02 PASS
foss_min_autotools: [foss2022a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -8.124999339997885e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
foss_min_autotools: [foss2023b-serial] 3.954895867620000e+03 -1.039999915519729e-06 -8.124999339997885e-02 PASS
foss_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -8.124999339997885e-02 PASS
foss_opt_autotools: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
foss_autotools: [foss2023b-serial] 3.954895867620000e+03 -1.039999915519729e-06 -8.124999339997885e-02 PASS
foss_autotools: [foss2022a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -8.124999339997885e-02 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -8.749999835799827e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
intel_autotools: [intel2023a-serial] 3.954895867590000e+03 -1.070000053005060e-06 -8.359375414102033e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -8.749999835799827e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.954895871650000e+03 2.990000211866572e-06 2.335937665520760e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -8.749999835799827e-02 PASS
foss_debug_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -8.124999339997885e-02 PASS
foss_omp_autotools: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
intel_omp_autotools: [intel2022a-serial] 3.954895867350000e+03 -1.309999788645655e-06 -1.023437334879418e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
intel_omp_autotools: [intel2023a-serial] 3.954895867580000e+03 -1.079999947251054e-06 -8.437499587898856e-02 PASS
foss_ppc_autotools: [foss2022a-serial] 3.954895867540000e+03 -1.119999978982378e-06 -8.749999835799827e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -8.749999835799827e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -8.671875662003004e-02 PASS