Match comparison for Ex (x= 0.76,y= 0,z=0) [step 400] (match type 20974)
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.344667210574500e-05 | 1.000000000000000e-07 | 9.344660704977574e-05 | 2.360009013544576e-10 | 9.344623234858000e-05 | 4.428299107004578e-10 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 0.000093446672105745, precision: 0.0000001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 9.344667517849070e-05 | 3.072745698292842e-12 | 3.072745698292842e-05 | PASS |
| cmake_foss_2022a_full_serial | 9.344667517775350e-05 | 3.072008495025660e-12 | 3.072008495025660e-05 | PASS |
| cmake_foss_2022a_min_serial | 9.344667517775350e-05 | 3.072008495025660e-12 | 3.072008495025660e-05 | PASS |
| cmake_foss_2022a_full_mpi | 9.344667517698360e-05 | 3.071238603062978e-12 | 3.071238603062978e-05 | PASS |
| cmake_foss_2022a_min_mpi | 9.344667517765640e-05 | 3.071911404721114e-12 | 3.071911404721114e-05 | PASS |
| eb_foss-2022a | 9.344667517717900e-05 | 3.071434003399515e-12 | 3.071434003399515e-05 | PASS |
| eb_foss-2022a_debug | 9.344667517717900e-05 | 3.071434003399515e-12 | 3.071434003399515e-05 | PASS |
| eb_fosscuda-2022a | 9.344578951867510e-05 | -8.825870699021411e-10 | -8.825870699021411e-03 | PASS |
| eb_foss-2022a_mpi | 9.344667517733339e-05 | 3.071588393788877e-12 | 3.071588393788877e-05 | PASS |
| eb_foss-2022b_libxc6 | 9.344667517696529e-05 | 3.071220293598791e-12 | 3.071220293598791e-05 | PASS |
| foss-2022a_opt | 9.344667517717900e-05 | 3.071434003399515e-12 | 3.071434003399515e-05 | PASS |
| foss-2022a_omp | 9.344667517667349e-05 | 3.070928494136593e-12 | 3.070928494136593e-05 | PASS |
| intel-2022a | 9.344667517714850e-05 | 3.071403496660886e-12 | 3.071403496660886e-05 | PASS |
| eb_foss-2022b_libxc6_mpi | 9.344667517652139e-05 | 3.070776394124321e-12 | 3.070776394124321e-05 | PASS |
| intel-2022b | 9.344667517714850e-05 | 3.071403496660886e-12 | 3.071403496660886e-05 | PASS |
| eb_foss-2022a_mpi_debug | 9.344667517733339e-05 | 3.071588393788877e-12 | 3.071588393788877e-05 | PASS |
| spack_foss-2022a_serial | 9.344667517775350e-05 | 3.072008495025660e-12 | 3.072008495025660e-05 | PASS |
| intel-2022a_omp | 9.344667517736710e-05 | 3.071622098923914e-12 | 3.071622098923914e-05 | PASS |
| spack_foss-2022a_serial_min | 9.344667517775350e-05 | 3.072008495025660e-12 | 3.072008495025660e-05 | PASS |
| eb_fosscuda-2022a_mpi_omp | 9.344578951866930e-05 | -8.825870757026228e-10 | -8.825870757026228e-03 | PASS |
| spack_foss-2022a_serial_debug | 9.344667517775350e-05 | 3.072008495025660e-12 | 3.072008495025660e-05 | PASS |
| intel-2022a_impi | 9.344667517788720e-05 | 3.072142204258582e-12 | 3.072142204258582e-05 | PASS |
| intel-2022b_impi | 9.344667517788720e-05 | 3.072142204258582e-12 | 3.072142204258582e-05 | PASS |
| foss-2022a_mpi_omp | 9.344667517698580e-05 | 3.071240798572378e-12 | 3.071240798572378e-05 | PASS |
| spack_foss-2022a_serial_omp | 9.344667517753030e-05 | 3.071785298455927e-12 | 3.071785298455927e-05 | PASS |
| intel-2022a_omp_impi | 9.344667517660840e-05 | 3.070863401348663e-12 | 3.070863401348663e-05 | PASS |