Match comparison for Benzene Energy [step 20] (match type 20991)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744529289078146e+01 | 1.000000000000000e-04 | -3.744529933934518e+01 | 7.920536213821956e-14 | -3.744529933934520e+01 | 1.989519660128281e-13 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -37.44529289078146, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| spack_foss-2023a_serial | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| spack_foss-2023a_serial_min | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| spack_foss-2023b_serial | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| spack_foss-2022a_serial | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.744529933934518e+01 | -6.448563723893130e-06 | -6.448563723893130e-02 | PASS |
| spack_foss-2022a_ppc | -3.744529933934520e+01 | -6.448563745209412e-06 | -6.448563745209412e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.744529933934518e+01 | -6.448563723893130e-06 | -6.448563723893130e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.744529933934513e+01 | -6.448563674155139e-06 | -6.448563674155139e-02 | PASS |
| spack_foss-2022a_mpi | -3.744529933934518e+01 | -6.448563723893130e-06 | -6.448563723893130e-02 | PASS |
| spack_foss-2023a_mpi | -3.744529933934518e+01 | -6.448563723893130e-06 | -6.448563723893130e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.744529933934518e+01 | -6.448563723893130e-06 | -6.448563723893130e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.744529933934515e+01 | -6.448563695471421e-06 | -6.448563695471421e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.744529933934514e+01 | -6.448563681260566e-06 | -6.448563681260566e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.744529933934513e+01 | -6.448563667049712e-06 | -6.448563667049712e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.744529933934518e+01 | -6.448563723893130e-06 | -6.448563723893130e-02 | PASS |
| spack_intel-2023a_serial | -3.744529933934525e+01 | -6.448563794947404e-06 | -6.448563794947404e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.744529933934540e+01 | -6.448563937055951e-06 | -6.448563937055951e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.744529933934533e+01 | -6.448563873107105e-06 | -6.448563873107105e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.744529933934533e+01 | -6.448563873107105e-06 | -6.448563873107105e-02 | PASS |
| spack_intel-2023a_impi | -3.744529933934523e+01 | -6.448563766525695e-06 | -6.448563766525695e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.744529933934518e+01 | -6.448563723893130e-06 | -6.448563723893130e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744529933934506e+01 | -6.448563595995438e-06 | -6.448563595995438e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.744529933934500e+01 | -6.448563539152019e-06 | -6.448563539152019e-02 | PASS |