Match comparison for Benzene Energy [step 20] (match type 24558)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744343182885780e+01 | 3.000000000000000e-03 | -3.744341454491953e+01 | 6.228235724992102e-14 | -3.744341454491956e+01 | 1.136868377216160e-13 | PASS |
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Detailed information
Reference: -37.4434318288578, precision: 0.003| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| foss_autotools: [foss2022a-serial] | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -3.744341454491948e+01 | 1.728393831967878e-05 | 5.761312773226261e-03 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -3.744341454491948e+01 | 1.728393831967878e-05 | 5.761312773226261e-03 | PASS |
| foss_autotools: [foss2023b-serial] | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| intel_autotools: [intel2023a-serial] | -3.744341454491968e+01 | 1.728393812072682e-05 | 5.761312706908939e-03 | PASS |
| foss_autotools: [foss2023a-serial] | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.744341454491948e+01 | 1.728393831967878e-05 | 5.761312773226261e-03 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.744341454491946e+01 | 1.728393833388964e-05 | 5.761312777963212e-03 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.744341454491948e+01 | 1.728393831967878e-05 | 5.761312773226261e-03 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.744341454491963e+01 | 1.728393816335938e-05 | 5.761312721119793e-03 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.744341454491963e+01 | 1.728393816335938e-05 | 5.761312721119793e-03 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.744341454491963e+01 | 1.728393816335938e-05 | 5.761312721119793e-03 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744341454491963e+01 | 1.728393816335938e-05 | 5.761312721119793e-03 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.744341454491945e+01 | 1.728393834810049e-05 | 5.761312782700164e-03 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.744341454491951e+01 | 1.728393828415165e-05 | 5.761312761383881e-03 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744341454491968e+01 | 1.728393812072682e-05 | 5.761312706908939e-03 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.744341454491949e+01 | 1.728393830546793e-05 | 5.761312768489309e-03 | PASS |