Match comparison for Benzene Energy [step 20] (match type 23475)
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
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 | -3.744565859608979e+01 | 1.148054354307002e-13 | -3.744565859608994e+01 | 2.415845301584341e-13 | PASS |
Checks for this match
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Detailed information
Reference: -37.44565859608992, precision: 0.000000000000374| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.744565859608971e+01 | 2.060573933704291e-13 | 5.509555972471365e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744565859608971e+01 | 2.060573933704291e-13 | 5.509555972471365e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.744565859608976e+01 | 1.563194018672220e-13 | 4.179663151530001e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.744565859608973e+01 | 1.918465386552271e-13 | 5.129586595059547e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| intel-serial: [intel2023a-serial] | -3.744565859609015e+01 | -2.344791028008331e-13 | -6.269494727295001e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744565859608978e+01 | 1.421085471520200e-13 | 3.799693774118182e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -3.744565859608986e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| intel-omp: [intel2023a-serial] | -3.744565859608993e+01 | -7.105427357601002e-15 | -1.899846887059091e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744565859608970e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |
| intel-omp: [intel2022a-serial] | -3.744565859608993e+01 | -7.105427357601002e-15 | -1.899846887059091e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744565859608970e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.744565859608970e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744565859608983e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.744565859608970e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744565859608974e+01 | 1.776356839400250e-13 | 4.749617217647728e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744565859608974e+01 | 1.776356839400250e-13 | 4.749617217647728e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.744565859608974e+01 | 1.776356839400250e-13 | 4.749617217647728e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744565859609018e+01 | -2.629008122312371e-13 | -7.029433482118638e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.744565859608970e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.744565859608971e+01 | 2.060573933704291e-13 | 5.509555972471365e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.744565859608974e+01 | 1.776356839400250e-13 | 4.749617217647728e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.744565859608983e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744565859608988e+01 | 3.552713678800501e-14 | 9.499234435295456e-02 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -3.744565859608970e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |