Match comparison for By (x= 0,y= 0,z=3.02) [step 400] (match type 20975)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.958269117779080e-07 | 2.000000000000000e-10 | -2.958271198756674e-07 | 3.896525780888665e-21 | -2.958271198756665e-07 | 8.496799252144700e-21 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.00000029582691177790795, precision: 0.0000000002| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.958271198756670e-07 | -2.080977590504228e-13 | -1.040488795252114e-03 | PASS |
| spack_foss-2023a_serial_opt | -2.958271198756670e-07 | -2.080977590504228e-13 | -1.040488795252114e-03 | PASS |
| spack_foss-2023a_serial | -2.958271198756670e-07 | -2.080977590504228e-13 | -1.040488795252114e-03 | PASS |
| spack_foss-2023a_serial_min | -2.958271198756670e-07 | -2.080977590504228e-13 | -1.040488795252114e-03 | PASS |
| spack_foss-2023b_serial | -2.958271198756670e-07 | -2.080977590504228e-13 | -1.040488795252114e-03 | PASS |
| spack_foss-2022a_serial | -2.958271198756670e-07 | -2.080977590504228e-13 | -1.040488795252114e-03 | PASS |
| spack_foss-2022a_mpi_min | -2.958271198756710e-07 | -2.080977630738293e-13 | -1.040488815369147e-03 | PASS |
| spack_foss-2022a_ppc | -2.958271198756580e-07 | -2.080977500506977e-13 | -1.040488750253489e-03 | PASS |
| spack_foss-2023a_mpi_min | -2.958271198756710e-07 | -2.080977630738293e-13 | -1.040488815369147e-03 | PASS |
| spack_foss-2023a_serial_omp | -2.958271198756750e-07 | -2.080977670442962e-13 | -1.040488835221481e-03 | PASS |
| spack_foss-2022a_mpi | -2.958271198756710e-07 | -2.080977630738293e-13 | -1.040488815369147e-03 | PASS |
| spack_foss-2023a_mpi | -2.958271198756710e-07 | -2.080977630738293e-13 | -1.040488815369147e-03 | PASS |
| spack_foss-2023a_serial_debug | -2.958271198756670e-07 | -2.080977590504228e-13 | -1.040488795252114e-03 | PASS |
| spack_foss-2023a_mpi_debug | -2.958271198756710e-07 | -2.080977630738293e-13 | -1.040488815369147e-03 | PASS |
| spack_foss-2023a_mpi_omp | -2.958271198756700e-07 | -2.080977620679777e-13 | -1.040488810339888e-03 | PASS |
| cmake_foss_2022a_full_serial | -2.958271198756670e-07 | -2.080977590504228e-13 | -1.040488795252114e-03 | PASS |
| cmake_foss_2022a_min_serial | -2.958271198756670e-07 | -2.080977590504228e-13 | -1.040488795252114e-03 | PASS |
| cmake_foss_2022a_min_mpi | -2.958271198756640e-07 | -2.080977560328679e-13 | -1.040488780164340e-03 | PASS |
| cmake_foss_2022a_full_mpi | -2.958271198756710e-07 | -2.080977630738293e-13 | -1.040488815369147e-03 | PASS |
| spack_intel-2023a_serial | -2.958271198756640e-07 | -2.080977560328679e-13 | -1.040488780164340e-03 | PASS |
| spack_intel-2022a_impi_omp | -2.958271198756700e-07 | -2.080977620679777e-13 | -1.040488810339888e-03 | PASS |
| spack_intel-2022a_serial_omp | -2.958271198756600e-07 | -2.080977520624010e-13 | -1.040488760312005e-03 | PASS |
| spack_intel-2023a_serial_omp | -2.958271198756600e-07 | -2.080977520624010e-13 | -1.040488760312005e-03 | PASS |
| spack_intel-2023a_impi | -2.958271198756650e-07 | -2.080977570387196e-13 | -1.040488785193598e-03 | PASS |
| spack_foss-2023a_mpi_opt | -2.958271198756710e-07 | -2.080977630738293e-13 | -1.040488815369147e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.958271198756640e-07 | -2.080977560328679e-13 | -1.040488780164340e-03 | PASS |
| spack_foss-2022a_cuda_serial | -2.958271198756700e-07 | -2.080977620679777e-13 | -1.040488810339888e-03 | PASS |