Match comparison for Benzene Energy [step 20] (match type 23475)
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565859608992e+01 | 3.740000000000000e-13 | -3.744565859608981e+01 | 1.071980618181419e-13 | -3.744565859608991e+01 | 2.131628207280301e-13 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
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Detailed information
Reference: -37.44565859608992, precision: 0.000000000000374| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| spack_foss-2022a_serial | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| spack_foss-2022a_ppc | -3.744565859608979e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.744565859608971e+01 | 2.060573933704291e-13 | 5.509555972471365e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| spack_foss-2022a_mpi | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| spack_foss-2023a_mpi | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.744565859608973e+01 | 1.918465386552271e-13 | 5.129586595059547e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.744565859609011e+01 | -1.918465386552271e-13 | -5.129586595059547e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.744565859608983e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.744565859608991e+01 | 7.105427357601002e-15 | 1.899846887059091e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.744565859608991e+01 | 7.105427357601002e-15 | 1.899846887059091e-02 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.744565859609013e+01 | -2.060573933704291e-13 | -5.509555972471365e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.744565859608979e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| spack_foss-2023a_serial | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.744565859608973e+01 | 1.918465386552271e-13 | 5.129586595059547e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.744565859608973e+01 | 1.918465386552271e-13 | 5.129586595059547e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.744565859608983e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| spack_foss-2023a_serial_min | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.744565859608983e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744565859608991e+01 | 7.105427357601002e-15 | 1.899846887059091e-02 | PASS |
| spack_foss-2023b_serial | -3.744565859608974e+01 | 1.847411112976260e-13 | 4.939601906353637e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.744565859608983e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| spack_intel-2023a_serial | -3.744565859609011e+01 | -1.918465386552271e-13 | -5.129586595059547e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.744565859608991e+01 | 7.105427357601002e-15 | 1.899846887059091e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.744565859608991e+01 | 7.105427357601002e-15 | 1.899846887059091e-02 | PASS |
| spack_intel-2023a_impi | -3.744565859609013e+01 | -2.060573933704291e-13 | -5.509555972471365e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.744565859608991e+01 | 7.105427357601002e-15 | 1.899846887059091e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744565859608970e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.744565859608971e+01 | 2.060573933704291e-13 | 5.509555972471365e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.744565859608973e+01 | 1.918465386552271e-13 | 5.129586595059547e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |