Match comparison for Ex (x= 0.76,y= 0,z=0) [step 400] (match type 25758)
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.344493696214700e-05 | 8.479999999999999e-12 | 9.344493696233376e-05 | 3.765217068136220e-16 | 9.344493696246564e-05 | 6.560507345709787e-16 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 0.000093444936962147, precision: 0.00000000000848| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 9.344493696264719e-05 | 5.001966722761875e-16 | 5.898545663634287e-05 | PASS |
| spack_foss-2023a_serial_min | 9.344493696264719e-05 | 5.001966722761875e-16 | 5.898545663634287e-05 | PASS |
| spack_foss-2023a_serial_opt | 9.344493696264719e-05 | 5.001966722761875e-16 | 5.898545663634287e-05 | PASS |
| spack_foss-2022a_serial | 9.344493696264719e-05 | 5.001966722761875e-16 | 5.898545663634287e-05 | PASS |
| spack_foss-2023a_serial | 9.344493696264719e-05 | 5.001966722761875e-16 | 5.898545663634287e-05 | PASS |
| spack_foss-2023b_serial | 9.344493696264719e-05 | 5.001966722761875e-16 | 5.898545663634287e-05 | PASS |
| spack_foss-2022a_ppc | 9.344493696200540e-05 | -1.415968037266069e-16 | -1.669773628851496e-05 | PASS |
| spack_foss-2022a_cuda_serial | 9.344493696214540e-05 | -1.599198204416119e-18 | -1.885846939169952e-07 | PASS |
| spack_foss-2022a_mpi_min | 9.344493696193100e-05 | -2.160001778134246e-16 | -2.547171908177177e-05 | PASS |
| spack_foss-2023a_mpi_min | 9.344493696193100e-05 | -2.160001778134246e-16 | -2.547171908177177e-05 | PASS |
| spack_foss-2023a_serial_omp | 9.344493696312169e-05 | 9.746977530644685e-16 | 1.149407727670364e-04 | PASS |
| spack_foss-2023a_mpi_opt | 9.344493696193100e-05 | -2.160001778134246e-16 | -2.547171908177177e-05 | PASS |
| spack_foss-2023a_serial_debug | 9.344493696264719e-05 | 5.001966722761875e-16 | 5.898545663634287e-05 | PASS |
| spack_foss-2022a_mpi | 9.344493696193100e-05 | -2.160001778134246e-16 | -2.547171908177177e-05 | PASS |
| spack_foss-2023a_mpi | 9.344493696193100e-05 | -2.160001778134246e-16 | -2.547171908177177e-05 | PASS |
| spack_foss-2023a_mpi_debug | 9.344493696193100e-05 | -2.160001778134246e-16 | -2.547171908177177e-05 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 9.344493696180959e-05 | -3.374037160774890e-16 | -3.978817406574163e-05 | PASS |
| spack_foss-2023a_mpi_omp | 9.344493696286500e-05 | 7.179993362013692e-16 | 8.466973304261431e-05 | PASS |
| cmake_foss_2022a_min_serial | 9.344493696264719e-05 | 5.001966722761875e-16 | 5.898545663634287e-05 | PASS |
| cmake_foss_2022a_full_serial | 9.344493696264719e-05 | 5.001966722761875e-16 | 5.898545663634287e-05 | PASS |
| cmake_foss_2022a_min_mpi | 9.344493696261750e-05 | 4.705030852772407e-16 | 5.548385439590103e-05 | PASS |
| cmake_foss_2022a_full_mpi | 9.344493696193100e-05 | -2.160001778134246e-16 | -2.547171908177177e-05 | PASS |
| spack_intel-2023a_serial | 9.344493696217431e-05 | 2.730834221947864e-17 | 3.220323374938519e-06 | PASS |
| spack_intel-2022a_serial_omp | 9.344493696240920e-05 | 2.622007428884632e-16 | 3.091989892552632e-05 | PASS |
| spack_intel-2022a_impi_omp | 9.344493696233769e-05 | 1.906976096130442e-16 | 2.248792566191559e-05 | PASS |
| spack_intel-2023a_impi | 9.344493696185049e-05 | -2.965021891204733e-16 | -3.496488079250865e-05 | PASS |