Match comparison for Benzene Dipole Ex Field from Maxwell [step 13] (match type 23466)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
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 | 8.132646076402699e-06 | 5.566725980714722e-20 | 8.132646076402731e-06 | 9.232659125071874e-20 | PASS |
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Detailed information
Reference: 0.000008132646076402673, precision: 0.0000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 8.132646076402699e-06 | 2.541098841762901e-20 | 2.541098841762901e-10 | PASS |
| spack_foss-2022a_cuda_serial | 8.132646076402648e-06 | -2.541098841762901e-20 | -2.541098841762901e-10 | PASS |
| spack_foss-2022a_serial | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| spack_foss-2022a_mpi | 8.132646076402746e-06 | 7.284483346386983e-20 | 7.284483346386983e-10 | PASS |
| spack_foss-2022a_serial_min | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| spack_foss-2022a_mpi_min | 8.132646076402746e-06 | 7.284483346386983e-20 | 7.284483346386983e-10 | PASS |
| spack_foss-2022a_mpi_opt | 8.132646076402746e-06 | 7.284483346386983e-20 | 7.284483346386983e-10 | PASS |
| spack_foss-2022a_serial_opt | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| spack_foss-2022a_serial_debug | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| spack_foss-2023a_serial | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.132646076402721e-06 | 4.743384504624082e-20 | 4.743384504624082e-10 | PASS |
| spack_foss-2023a_serial_omp | 8.132646076402656e-06 | -1.694065894508601e-20 | -1.694065894508601e-10 | PASS |
| spack_foss-2022a_mpi_debug | 8.132646076402746e-06 | 7.284483346386983e-20 | 7.284483346386983e-10 | PASS |
| spack_foss-2023a_serial_min | 8.132646076402639e-06 | -3.388131789017201e-20 | -3.388131789017201e-10 | PASS |
| spack_intel-2022a_serial_omp | 8.132646076402761e-06 | 8.809142651444724e-20 | 8.809142651444724e-10 | PASS |
| spack_intel-2023a_serial | 8.132646076402680e-06 | 6.776263578034403e-21 | 6.776263578034403e-11 | PASS |
| spack_intel-2023a_serial_omp | 8.132646076402761e-06 | 8.809142651444724e-20 | 8.809142651444724e-10 | PASS |
| spack_intel-2023a_impi | 8.132646076402697e-06 | 2.371692252312041e-20 | 2.371692252312041e-10 | PASS |
| spack_intel-2022a_impi_omp | 8.132646076402824e-06 | 1.507718646112655e-19 | 1.507718646112655e-09 | PASS |