Match comparison for Tot. Maxwell energy [step 300] (match type 20979)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
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 |
| 1.401719509977955e-06 | 1.000000000000000e-12 | 1.401719509978013e-06 | 2.975887657634349e-20 | 1.401719509977993e-06 | 7.284483346386983e-20 | PASS |
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Detailed information
Reference: 0.0000014017195099779552, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2022a_serial_min | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| foss-2022a_ppc | 1.401719509978014e-06 | 5.908054807098745e-20 | 5.908054807098745e-08 | PASS |
| spack_foss-2022a_serial_opt | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| spack_foss-2022a_serial | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| foss-2022a_opt | 1.401719509978026e-06 | 7.115076756936123e-20 | 7.115076756936123e-08 | PASS |
| intel-2022b | 1.401719509978002e-06 | 4.701032857261367e-20 | 4.701032857261367e-08 | PASS |
| intel-2022a | 1.401719509978002e-06 | 4.701032857261367e-20 | 4.701032857261367e-08 | PASS |
| spack_foss-2022a_serial_omp | 1.401719509978066e-06 | 1.103260413798726e-19 | 1.103260413798726e-07 | PASS |
| cmake_foss_2022a_full_mpi | 1.401719509977920e-06 | -3.536362554786704e-20 | -3.536362554786704e-08 | PASS |
| spack_foss-2022a_serial_debug | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| foss-2022a_omp | 1.401719509978027e-06 | 7.220955875342910e-20 | 7.220955875342910e-08 | PASS |
| intel-2022a_omp | 1.401719509977998e-06 | 4.235164736271502e-20 | 4.235164736271502e-08 | PASS |
| intel-2022b_impi | 1.401719509978038e-06 | 8.279747059410786e-20 | 8.279747059410786e-08 | PASS |
| intel-2022a_impi | 1.401719509978038e-06 | 8.279747059410786e-20 | 8.279747059410786e-08 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.401719509978018e-06 | 6.268043809681823e-20 | 6.268043809681823e-08 | PASS |
| eb_fosscuda-2022a | 1.401719509977967e-06 | 1.185846126156020e-20 | 1.185846126156020e-08 | PASS |
| cmake_foss_2022a_min_serial | 1.401719509978033e-06 | 7.750351467376848e-20 | 7.750351467376848e-08 | PASS |
| foss-2022a_mpi_omp | 1.401719509978000e-06 | 4.446922973085077e-20 | 4.446922973085077e-08 | PASS |
| cmake_foss_2022a_min_mpi | 1.401719509977995e-06 | 3.959879028413854e-20 | 3.959879028413854e-08 | PASS |
| eb_foss-2022a | 1.401719509978026e-06 | 7.115076756936123e-20 | 7.115076756936123e-08 | PASS |
| eb_foss-2022b_libxc6 | 1.401719509977966e-06 | 1.079967007749233e-20 | 1.079967007749233e-08 | PASS |
| eb_foss-2022a_debug | 1.401719509978026e-06 | 7.115076756936123e-20 | 7.115076756936123e-08 | PASS |
| intel-2022a_omp_impi | 1.401719509977962e-06 | 6.988021814847978e-21 | 6.988021814847978e-09 | PASS |
| eb_foss-2022a_mpi | 1.401719509978013e-06 | 5.738648217647885e-20 | 5.738648217647885e-08 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.401719509978029e-06 | 7.348010817431055e-20 | 7.348010817431055e-08 | PASS |
| eb_foss-2022a_mpi_debug | 1.401719509978013e-06 | 5.738648217647885e-20 | 5.738648217647885e-08 | PASS |