Match comparison for Ex (x= 0.76,y= 0,z=0) [step 400] (match type 25758)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.344663817885250e-05 | 8.479999999999999e-12 | 9.344663817919852e-05 | 4.379154404538504e-16 | 9.344663817932965e-05 | 9.561511196513883e-16 | PASS |
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Detailed information
Reference: 0.0000934466381788525, precision: 0.00000000000848| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 9.344663817958250e-05 | 7.300068752616462e-16 | 8.608571642236395e-05 | PASS |
| spack_foss-2022a_serial_min | 9.344663817958250e-05 | 7.300068752616462e-16 | 8.608571642236395e-05 | PASS |
| foss-2022a_ppc | 9.344663818028580e-05 | 1.433301719498681e-15 | 1.690214291861652e-04 | PASS |
| spack_foss-2022a_serial_opt | 9.344663817958250e-05 | 7.300068752616462e-16 | 8.608571642236395e-05 | PASS |
| spack_foss-2022a_serial | 9.344663817958250e-05 | 7.300068752616462e-16 | 8.608571642236395e-05 | PASS |
| foss-2022a_opt | 9.344663817904250e-05 | 1.900064307280847e-16 | 2.240641871793451e-05 | PASS |
| intel-2022b | 9.344663817896111e-05 | 1.086099526287354e-16 | 1.280777743263389e-05 | PASS |
| intel-2022a | 9.344663817896111e-05 | 1.086099526287354e-16 | 1.280777743263389e-05 | PASS |
| spack_foss-2022a_serial_omp | 9.344663817931250e-05 | 4.599998767312874e-16 | 5.424526848246314e-05 | PASS |
| cmake_foss_2022a_full_mpi | 9.344663817882180e-05 | -3.069647400849584e-17 | -3.619867217983001e-06 | PASS |
| spack_foss-2022a_serial_debug | 9.344663817958250e-05 | 7.300068752616462e-16 | 8.608571642236395e-05 | PASS |
| foss-2022a_omp | 9.344663817847300e-05 | -3.794978654242387e-16 | -4.475210677172626e-05 | PASS |
| intel-2022a_omp | 9.344663817920250e-05 | 3.500075663326330e-16 | 4.127447716186710e-05 | PASS |
| intel-2022b_impi | 9.344663817973130e-05 | 8.788000709081256e-16 | 1.036320838335054e-04 | PASS |
| intel-2022a_impi | 9.344663817973130e-05 | 8.788000709081256e-16 | 1.036320838335054e-04 | PASS |
| eb_fosscuda-2022a_mpi_omp | 9.344663817901279e-05 | 1.602992912019818e-16 | 1.890321830212050e-05 | PASS |
| eb_fosscuda-2022a | 9.344663817903910e-05 | 1.866047464119114e-16 | 2.200527669951785e-05 | PASS |
| cmake_foss_2022a_min_serial | 9.344663817958250e-05 | 7.300068752616462e-16 | 8.608571642236395e-05 | PASS |
| foss-2022a_mpi_omp | 9.344663817883331e-05 | -1.919037845299343e-17 | -2.263016327003942e-06 | PASS |
| cmake_foss_2022a_min_mpi | 9.344663817948099e-05 | 6.284984468626909e-16 | 7.411538288475128e-05 | PASS |
| eb_foss-2022a | 9.344663817904250e-05 | 1.900064307280847e-16 | 2.240641871793451e-05 | PASS |
| eb_foss-2022b_libxc6 | 9.344663817882269e-05 | -2.980200721619530e-17 | -3.514387643419258e-06 | PASS |
| eb_foss-2022a_debug | 9.344663817904250e-05 | 1.900064307280847e-16 | 2.240641871793451e-05 | PASS |
| intel-2022a_omp_impi | 9.344663817844310e-05 | -4.093947403305265e-16 | -4.827768164275077e-05 | PASS |
| eb_foss-2022a_mpi | 9.344663817912590e-05 | 2.734086828465321e-16 | 3.224158995831747e-05 | PASS |
| eb_foss-2022b_libxc6_mpi | 9.344663817837350e-05 | -4.790005198040959e-16 | -5.648591035425659e-05 | PASS |
| eb_foss-2022a_mpi_debug | 9.344663817912590e-05 | 2.734086828465321e-16 | 3.224158995831747e-05 | PASS |