Match comparison for Benzene Energy [step 20] (match type 24558)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
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 | -3.744341454491954e+01 | 6.299136384553490e-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 |
| spack_foss-2022a_serial_min | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| spack_foss-2023a_serial_opt | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| spack_foss-2023a_serial | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| spack_foss-2023a_serial_min | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| spack_foss-2023b_serial | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| spack_foss-2022a_serial | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| spack_foss-2022a_mpi_min | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| spack_foss-2022a_ppc | -3.744341454491963e+01 | 1.728393816335938e-05 | 5.761312721119793e-03 | PASS |
| spack_foss-2023a_mpi_min | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| spack_foss-2023a_serial_omp | -3.744341454491946e+01 | 1.728393833388964e-05 | 5.761312777963212e-03 | PASS |
| spack_foss-2022a_mpi | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| spack_foss-2023a_mpi | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| spack_foss-2023a_serial_debug | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| spack_foss-2023a_mpi_debug | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| spack_foss-2023a_mpi_omp | -3.744341454491951e+01 | 1.728393828415165e-05 | 5.761312761383881e-03 | PASS |
| cmake_foss_2022a_full_serial | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| cmake_foss_2022a_min_serial | -3.744341454491951e+01 | 1.728393829125707e-05 | 5.761312763752358e-03 | PASS |
| cmake_foss_2022a_min_mpi | -3.744341454491948e+01 | 1.728393831967878e-05 | 5.761312773226261e-03 | PASS |
| cmake_foss_2022a_full_mpi | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| spack_intel-2023a_serial | -3.744341454491968e+01 | 1.728393812072682e-05 | 5.761312706908939e-03 | PASS |
| spack_intel-2022a_impi_omp | -3.744341454491968e+01 | 1.728393812072682e-05 | 5.761312706908939e-03 | PASS |
| spack_intel-2022a_serial_omp | -3.744341454491963e+01 | 1.728393816335938e-05 | 5.761312721119793e-03 | PASS |
| spack_intel-2023a_serial_omp | -3.744341454491963e+01 | 1.728393816335938e-05 | 5.761312721119793e-03 | PASS |
| spack_intel-2023a_impi | -3.744341454491963e+01 | 1.728393816335938e-05 | 5.761312721119793e-03 | PASS |
| spack_foss-2023a_mpi_opt | -3.744341454491952e+01 | 1.728393827704622e-05 | 5.761312759015406e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744341454491949e+01 | 1.728393830546793e-05 | 5.761312768489309e-03 | PASS |
| spack_foss-2022a_cuda_serial | -3.744341454491945e+01 | 1.728393834810049e-05 | 5.761312782700164e-03 | PASS |