Match comparison for Total current (x=-0.38, y= 0,z=0) [step 20] (match type 23481)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
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 |
| 9.833499753902589e-05 | 2.000000000000000e-10 | 9.833499753902405e-05 | 2.736436041559574e-17 | 9.833499753903095e-05 | 5.034763838479561e-17 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: 0.0000983349975390259, precision: 0.0000000002| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| spack_foss-2022a_serial | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| spack_foss-2023a_serial_min | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| spack_foss-2023a_serial | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| cmake_foss_2022a_full_serial | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| spack_foss-2022a_ppc | 9.833499753898060e-05 | -4.529254575558195e-17 | -2.264627287779097e-07 | PASS |
| spack_foss-2023a_mpi_min | 9.833499753901610e-05 | -9.798477133837746e-18 | -4.899238566918873e-08 | PASS |
| spack_foss-2022a_mpi_min | 9.833499753901610e-05 | -9.798477133837746e-18 | -4.899238566918873e-08 | PASS |
| cmake_foss_2022a_full_mpi | 9.833499753901610e-05 | -9.798477133837746e-18 | -4.899238566918873e-08 | PASS |
| spack_foss-2023a_serial_debug | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| spack_foss-2023a_mpi_opt | 9.833499753901610e-05 | -9.798477133837746e-18 | -4.899238566918873e-08 | PASS |
| spack_foss-2022a_mpi | 9.833499753901610e-05 | -9.798477133837746e-18 | -4.899238566918873e-08 | PASS |
| spack_foss-2023a_mpi | 9.833499753901610e-05 | -9.798477133837746e-18 | -4.899238566918873e-08 | PASS |
| spack_foss-2022a_cuda_serial | 9.833499753902560e-05 | -2.981555974335137e-19 | -1.490777987167569e-09 | PASS |
| cmake_foss_2022a_min_mpi | 9.833499753905490e-05 | 2.900240811398724e-17 | 1.450120405699362e-07 | PASS |
| spack_foss-2023a_mpi_debug | 9.833499753901610e-05 | -9.798477133837746e-18 | -4.899238566918873e-08 | PASS |
| spack_foss-2023a_mpi_omp | 9.833499753904071e-05 | 1.481291218158320e-17 | 7.406456090791602e-08 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 9.833499753898820e-05 | -3.768957802102735e-17 | -1.884478901051367e-07 | PASS |
| cmake_foss_2022a_min_serial | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| spack_foss-2023a_serial_opt | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| spack_foss-2023b_serial | 9.833499753901120e-05 | -1.469093943717859e-17 | -7.345469718589293e-08 | PASS |
| spack_foss-2023a_serial_omp | 9.833499753898370e-05 | -4.218901703684219e-17 | -2.109450851842110e-07 | PASS |
| spack_intel-2023a_serial | 9.833499753906480e-05 | 3.890930546507354e-17 | 1.945465273253677e-07 | PASS |
| spack_intel-2022a_serial_omp | 9.833499753908130e-05 | 5.540273101400928e-17 | 2.770136550700464e-07 | PASS |
| spack_intel-2023a_serial_omp | 9.833499753908130e-05 | 5.540273101400928e-17 | 2.770136550700464e-07 | PASS |
| spack_intel-2023a_impi | 9.833499753907930e-05 | 5.341050952206716e-17 | 2.670525476103358e-07 | PASS |
| spack_intel-2022a_impi_omp | 9.833499753905551e-05 | 2.961227183601034e-17 | 1.480613591800517e-07 | PASS |