Match comparison for Diamagnetic current (x=-0.38, y= 0,z=0) [step 20] (match type 23480)
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.629216431984570e-09 | 2.000000000000000e-10 | 9.629216431984068e-09 | 9.373326221663835e-22 | 9.629216431983785e-09 | 2.095248491596819e-21 | PASS |
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Detailed information
Reference: 0.00000000962921643198457, precision: 0.0000000002| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 9.629216431984840e-09 | 2.696608796922870e-22 | 1.348304398461435e-12 | PASS |
| cmake_foss_2022a_full_mpi | 9.629216431984489e-09 | -8.106370003019671e-23 | -4.053185001509836e-13 | PASS |
| cmake_foss_2022a_full_serial | 9.629216431983520e-09 | -1.050519377942345e-21 | -5.252596889711726e-12 | PASS |
| cmake_foss_2022a_min_serial | 9.629216431983520e-09 | -1.050519377942345e-21 | -5.252596889711726e-12 | PASS |
| cmake_foss_2022a_min_mpi | 9.629216431983060e-09 | -1.510431798521829e-21 | -7.552158992609143e-12 | PASS |
| spack_foss-2022a_cuda_serial | 9.629216431985490e-09 | 9.198248411589668e-22 | 4.599124205794834e-12 | PASS |
| spack_foss-2022a_serial | 9.629216431983520e-09 | -1.050519377942345e-21 | -5.252596889711726e-12 | PASS |
| spack_foss-2022a_serial_min | 9.629216431983520e-09 | -1.050519377942345e-21 | -5.252596889711726e-12 | PASS |
| spack_foss-2022a_mpi_min | 9.629216431984489e-09 | -8.106370003019671e-23 | -4.053185001509836e-13 | PASS |
| spack_foss-2022a_mpi | 9.629216431984489e-09 | -8.106370003019671e-23 | -4.053185001509836e-13 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 9.629216431985580e-09 | 1.009160347314694e-21 | 5.045801736573469e-12 | PASS |
| spack_foss-2023a_mpi_min | 9.629216431984489e-09 | -8.106370003019671e-23 | -4.053185001509836e-13 | PASS |
| spack_foss-2023a_mpi | 9.629216431984489e-09 | -8.106370003019671e-23 | -4.053185001509836e-13 | PASS |
| spack_foss-2023a_serial | 9.629216431983520e-09 | -1.050519377942345e-21 | -5.252596889711726e-12 | PASS |
| spack_foss-2023a_serial_min | 9.629216431983520e-09 | -1.050519377942345e-21 | -5.252596889711726e-12 | PASS |
| spack_foss-2023a_mpi_opt | 9.629216431984489e-09 | -8.106370003019671e-23 | -4.053185001509836e-13 | PASS |
| spack_foss-2023a_serial_opt | 9.629216431983520e-09 | -1.050519377942345e-21 | -5.252596889711726e-12 | PASS |
| spack_foss-2023a_serial_debug | 9.629216431983520e-09 | -1.050519377942345e-21 | -5.252596889711726e-12 | PASS |
| spack_foss-2023b_serial | 9.629216431983520e-09 | -1.050519377942345e-21 | -5.252596889711726e-12 | PASS |
| spack_foss-2023a_serial_omp | 9.629216431981690e-09 | -2.880242892909642e-21 | -1.440121446454821e-11 | PASS |
| spack_foss-2023a_mpi_omp | 9.629216431982961e-09 | -1.609693472028192e-21 | -8.048467360140959e-12 | PASS |
| spack_intel-2023a_serial | 9.629216431985881e-09 | 1.310254090283996e-21 | 6.551270451419979e-12 | PASS |
| spack_intel-2022a_serial_omp | 9.629216431983619e-09 | -9.512577044359818e-22 | -4.756288522179909e-12 | PASS |
| spack_intel-2023a_impi | 9.629216431985881e-09 | 1.310254090283996e-21 | 6.551270451419979e-12 | PASS |
| spack_intel-2023a_serial_omp | 9.629216431983619e-09 | -9.512577044359818e-22 | -4.756288522179909e-12 | PASS |
| spack_intel-2022a_impi_omp | 9.629216431984101e-09 | -4.698385879301197e-22 | -2.349192939650599e-12 | PASS |
| spack_foss-2023a_mpi_debug | 9.629216431984489e-09 | -8.106370003019671e-23 | -4.053185001509836e-13 | PASS |