Match comparison for Hartree energy (match type 30494)

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.988936987400000e+03 2.030000000000000e-05 3.988936995977000e+03 1.085254905566857e-05 3.988936987770000e+03 1.591999989614123e-05 PASS
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Detailed information

Reference: 3988.9369874000004, precision: 0.0000203
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 3.988936974010000e+03 -1.339000027655857e-05 -6.596059249536240e-01 PASS
foss_min_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.988936974010000e+03 -1.339000027655857e-05 -6.596059249536240e-01 PASS
foss_min_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_min_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_autotools: [foss2022a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_opt_autotools: [foss2023a-serial] 3.988936974010000e+03 -1.339000027655857e-05 -6.596059249536240e-01 PASS
intel_autotools: [intel2023a-serial] 3.988937002310000e+03 1.490999966335949e-05 7.344827420374131e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.988937003690000e+03 1.628999962122180e-05 8.024630355281673e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.988936998220000e+03 1.081999971574987e-05 5.330049121059051e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -5.088670123262409e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.988937003680000e+03 1.627999972697580e-05 8.019704299002859e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.988936977070000e+03 -1.033000035022269e-05 -5.088670123262409e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.988937001350000e+03 1.394999981130240e-05 6.871921089311530e-01 PASS
foss_autotools: [foss2023b-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_omp_autotools: [foss2023a-serial] 3.988936971850000e+03 -1.555000017106067e-05 -7.660098606433829e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.988936999600000e+03 1.219999967361218e-05 6.009852055966592e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.988937003340000e+03 1.593999968463322e-05 7.852216593415381e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.988937003500000e+03 1.609999981155852e-05 7.931034389930305e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.988937003560000e+03 1.615999963178183e-05 7.960590951616665e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.988936996510000e+03 9.109999609790975e-06 4.487684536842845e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.988937003600000e+03 1.619999966351315e-05 7.980295400745396e-01 PASS
foss_debug_autotools: [foss2023a-serial] 3.988936999680000e+03 1.227999973707483e-05 6.049260954224055e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.988936998890000e+03 1.148999945144169e-05 5.660098251941720e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.988937002900000e+03 1.549999979033601e-05 7.635467877012811e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.988937003630000e+03 1.622999980099848e-05 7.995073793595313e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.988937002570000e+03 1.516999964223942e-05 7.472906227704147e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.988937003500000e+03 1.609999981155852e-05 7.931034389930305e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.988937002680000e+03 1.527999984318740e-05 7.527093518811526e-01 PASS