Match comparison for Benzene Energy [step 20] (match type 30136)

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.744565861329850e+01 1.870000000000000e-12 -3.744565861329852e+01 7.768456157046115e-14 -3.744565861329853e+01 1.740829702612245e-13 PASS

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Detailed information

Reference: -37.4456586132985, precision: 0.00000000000187
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.744565861329850e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_min_autotools: [foss2023a-serial] -3.744565861329850e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.744565861329850e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_min_autotools: [foss2022a-serial] -3.744565861329850e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_min_autotools: [foss2023b-serial] -3.744565861329850e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2022a-serial] -3.744565861329850e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_autotools: [foss2023b-serial] -3.744565861329850e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_autotools: [intel2023a-serial] -3.744565861329867e+01 -1.705302565824240e-13 -9.119265057883640e-02 PASS
foss_autotools: [foss2023a-serial] -3.744565861329850e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.744565861329849e+01 7.105427357601002e-15 3.799693774118183e-03 PASS
foss_opt_autotools: [foss2023a-serial] -3.744565861329850e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.744565861329849e+01 7.105427357601002e-15 3.799693774118183e-03 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.744565861329849e+01 7.105427357601002e-15 3.799693774118183e-03 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.744565861329848e+01 1.421085471520200e-14 7.599387548236366e-03 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.744565861329848e+01 1.421085471520200e-14 7.599387548236366e-03 PASS
foss_omp_autotools: [foss2023a-serial] -3.744565861329846e+01 3.552713678800501e-14 1.899846887059092e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.744565861329848e+01 1.421085471520200e-14 7.599387548236366e-03 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.744565861329848e+01 1.421085471520200e-14 7.599387548236366e-03 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.744565861329848e+01 1.421085471520200e-14 7.599387548236366e-03 PASS
intel_omp_autotools: [intel2023a-serial] -3.744565861329865e+01 -1.563194018672220e-13 -8.359326303060002e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.744565861329865e+01 -1.563194018672220e-13 -8.359326303060002e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.744565861329849e+01 7.105427357601002e-15 3.799693774118183e-03 PASS
foss_debug_autotools: [foss2023a-serial] -3.744565861329850e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_ppc_autotools: [foss2022a-serial] -3.744565861329864e+01 -1.421085471520200e-13 -7.599387548236367e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.744565861329863e+01 -1.350031197944190e-13 -7.219418170824547e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.744565861329848e+01 1.421085471520200e-14 7.599387548236366e-03 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.744565861329849e+01 7.105427357601002e-15 3.799693774118183e-03 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.744565861329840e+01 9.947598300641403e-14 5.319571283765456e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.744565861329870e+01 -2.060573933704291e-13 -1.101911194494273e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.744565861329836e+01 1.421085471520200e-13 7.599387548236367e-02 PASS