Match comparison for Benzene Dipole Ex Field from Maxwell [step 13] (match type 23466)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.132646076402673e-06 | 1.000000000000000e-10 | 8.132644343899108e-06 | 6.125325139362312e-12 | 8.132634382003586e-06 | 1.169439922130762e-11 | PASS |
Checks for this match
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Detailed information
Reference: 0.000008132646076402673, precision: 0.0000000001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| spack_foss-2022a_serial_min | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| foss-2022a_ppc | 8.132646076402563e-06 | -1.101142831430590e-19 | -1.101142831430590e-09 | PASS |
| spack_foss-2022a_serial_opt | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| spack_foss-2022a_serial | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| foss-2022a_opt | 8.132646076402749e-06 | 7.623296525288703e-20 | 7.623296525288703e-10 | PASS |
| intel-2022b | 8.132646076402614e-06 | -5.929230630780102e-20 | -5.929230630780102e-10 | PASS |
| intel-2022a | 8.132646076402614e-06 | -5.929230630780102e-20 | -5.929230630780102e-10 | PASS |
| spack_foss-2022a_serial_omp | 8.132646076402692e-06 | 1.863472483959461e-20 | 1.863472483959461e-10 | PASS |
| cmake_foss_2022a_full_mpi | 8.132646076402746e-06 | 7.284483346386983e-20 | 7.284483346386983e-10 | PASS |
| spack_foss-2022a_serial_debug | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| foss-2022a_omp | 8.132646076402702e-06 | 2.879912020664621e-20 | 2.879912020664621e-10 | PASS |
| intel-2022a_omp | 8.132646076402729e-06 | 5.590417451878382e-20 | 5.590417451878382e-10 | PASS |
| intel-2022b_impi | 8.132646076402729e-06 | 5.590417451878382e-20 | 5.590417451878382e-10 | PASS |
| intel-2022a_impi | 8.132646076402729e-06 | 5.590417451878382e-20 | 5.590417451878382e-10 | PASS |
| eb_fosscuda-2022a_mpi_omp | 8.132622687604420e-06 | -2.338879825287987e-11 | -2.338879825287987e-01 | PASS |
| eb_fosscuda-2022a | 8.132622687604364e-06 | -2.338879830878404e-11 | -2.338879830878404e-01 | PASS |
| cmake_foss_2022a_min_serial | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| foss-2022a_mpi_omp | 8.132646076402716e-06 | 4.235164736271502e-20 | 4.235164736271502e-10 | PASS |
| cmake_foss_2022a_min_mpi | 8.132646076402807e-06 | 1.338312056661795e-19 | 1.338312056661795e-09 | PASS |
| eb_foss-2022a | 8.132646076402749e-06 | 7.623296525288703e-20 | 7.623296525288703e-10 | PASS |
| eb_foss-2022b_libxc6 | 8.132646076402673e-06 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | 8.132646076402749e-06 | 7.623296525288703e-20 | 7.623296525288703e-10 | PASS |
| intel-2022a_omp_impi | 8.132646076402766e-06 | 9.317362419797304e-20 | 9.317362419797304e-10 | PASS |
| eb_foss-2022a_mpi | 8.132646076402656e-06 | -1.694065894508601e-20 | -1.694065894508601e-10 | PASS |
| eb_foss-2022b_libxc6_mpi | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| eb_foss-2022a_mpi_debug | 8.132646076402656e-06 | -1.694065894508601e-20 | -1.694065894508601e-10 | PASS |