Match comparison for Benzene Energy [step 0] (match type 20990)
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578235744470e+01 | 1.000000000000000e-04 | -3.744578880864108e+01 | 9.892935575025122e-14 | -3.744578880864112e+01 | 1.492139745096210e-13 | PASS |
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Detailed information
Reference: -37.4457823574447, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| spack_foss-2022a_serial_min | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| spack_foss-2022a_ppc | -3.744578880864115e+01 | -6.451196448153951e-06 | -6.451196448153951e-02 | PASS |
| spack_foss-2022a_serial | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| spack_foss-2023a_serial | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| spack_foss-2023b_serial | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.744578880864120e+01 | -6.451196504997370e-06 | -6.451196504997370e-02 | PASS |
| spack_foss-2022a_mpi | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| spack_foss-2023a_mpi | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.744578880864127e+01 | -6.451196568946216e-06 | -6.451196568946216e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.744578880864120e+01 | -6.451196504997370e-06 | -6.451196504997370e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.744578880864127e+01 | -6.451196568946216e-06 | -6.451196568946216e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.744578880864127e+01 | -6.451196568946216e-06 | -6.451196568946216e-02 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.744578880864124e+01 | -6.451196540524506e-06 | -6.451196540524506e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.744578880864115e+01 | -6.451196448153951e-06 | -6.451196448153951e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744578880864106e+01 | -6.451196362888822e-06 | -6.451196362888822e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.744578880864117e+01 | -6.451196469470233e-06 | -6.451196469470233e-02 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.744578880864100e+01 | -6.451196298939976e-06 | -6.451196298939976e-02 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.744578880864100e+01 | -6.451196298939976e-06 | -6.451196298939976e-02 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.744578880864117e+01 | -6.451196469470233e-06 | -6.451196469470233e-02 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.744578880864105e+01 | -6.451196355783395e-06 | -6.451196355783395e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.744578880864100e+01 | -6.451196298939976e-06 | -6.451196298939976e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.744578880864124e+01 | -6.451196540524506e-06 | -6.451196540524506e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744578880864124e+01 | -6.451196540524506e-06 | -6.451196540524506e-02 | PASS |
| spack_intel-2023a_serial | -3.744578880864127e+01 | -6.451196568946216e-06 | -6.451196568946216e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.744578880864127e+01 | -6.451196568946216e-06 | -6.451196568946216e-02 | PASS |
| spack_intel-2023a_impi | -3.744578880864124e+01 | -6.451196540524506e-06 | -6.451196540524506e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.744578880864102e+01 | -6.451196320256258e-06 | -6.451196320256258e-02 | PASS |
| GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.744578880864108e+01 | -6.451196377099677e-06 | -6.451196377099677e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.744578880864097e+01 | -6.451196270518267e-06 | -6.451196270518267e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.744578880864100e+01 | -6.451196298939976e-06 | -6.451196298939976e-02 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.744578880864102e+01 | -6.451196320256258e-06 | -6.451196320256258e-02 | PASS |