Match comparison for Hyperpolarizability w=0.1 Re (match type 17704)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.686812300000000e+01 | 5.280000000000000e-05 | 8.686812035714286e+01 | 5.386585759081595e-06 | 8.686811800000000e+01 | 1.100000000064938e-05 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 86.868123, precision: 0.0000528| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 8.686811800000000e+01 | -5.000000001587068e-06 | -9.469696972702780e-02 | PASS |
| spack_foss-2023a_serial_opt | 8.686812399999999e+01 | 9.999999974752427e-07 | 1.893939389157656e-02 | PASS |
| spack_foss-2023a_serial | 8.686811800000000e+01 | -5.000000001587068e-06 | -9.469696972702780e-02 | PASS |
| spack_foss-2023a_serial_min | 8.686811800000000e+01 | -5.000000001587068e-06 | -9.469696972702780e-02 | PASS |
| spack_foss-2023b_serial | 8.686811800000000e+01 | -5.000000001587068e-06 | -9.469696972702780e-02 | PASS |
| spack_foss-2022a_serial | 8.686811800000000e+01 | -5.000000001587068e-06 | -9.469696972702780e-02 | PASS |
| spack_foss-2022a_mpi_min | 8.686812600000000e+01 | 3.000000006636583e-06 | 5.681818194387468e-02 | PASS |
| spack_foss-2022a_ppc | 8.686811400000001e+01 | -8.999999991488039e-06 | -1.704545452933341e-01 | PASS |
| spack_foss-2023a_mpi_min | 8.686812600000000e+01 | 3.000000006636583e-06 | 5.681818194387468e-02 | PASS |
| spack_foss-2023a_serial_omp | 8.686810699999999e+01 | -1.600000000223645e-05 | -3.030303030726600e-01 | PASS |
| spack_foss-2022a_mpi | 8.686812600000000e+01 | 3.000000006636583e-06 | 5.681818194387468e-02 | PASS |
| spack_foss-2023a_mpi | 8.686812600000000e+01 | 3.000000006636583e-06 | 5.681818194387468e-02 | PASS |
| spack_foss-2023a_serial_debug | 8.686811800000000e+01 | -5.000000001587068e-06 | -9.469696972702780e-02 | PASS |
| spack_foss-2023a_mpi_debug | 8.686812600000000e+01 | 3.000000006636583e-06 | 5.681818194387468e-02 | PASS |
| spack_foss-2023a_mpi_omp | 8.686812500000001e+01 | 2.000000009161340e-06 | 3.787878805229811e-02 | PASS |
| cmake_foss_2022a_full_serial | 8.686812399999999e+01 | 9.999999974752427e-07 | 1.893939389157656e-02 | PASS |
| cmake_foss_2022a_min_serial | 8.686812399999999e+01 | 9.999999974752427e-07 | 1.893939389157656e-02 | PASS |
| cmake_foss_2022a_min_mpi | 8.686811600000000e+01 | -6.999999996537554e-06 | -1.325757575101809e-01 | PASS |
| cmake_foss_2022a_full_mpi | 8.686811299999999e+01 | -1.000000000317414e-05 | -1.893939394540556e-01 | PASS |
| spack_intel-2023a_serial | 8.686812399999999e+01 | 9.999999974752427e-07 | 1.893939389157656e-02 | PASS |
| spack_intel-2022a_impi_omp | 8.686812900000000e+01 | 5.999999999062311e-06 | 1.136363636186044e-01 | PASS |
| spack_intel-2022a_serial_omp | 8.686811600000000e+01 | -6.999999996537554e-06 | -1.325757575101809e-01 | PASS |
| spack_intel-2023a_serial_omp | 8.686811600000000e+01 | -6.999999996537554e-06 | -1.325757575101809e-01 | PASS |
| spack_intel-2023a_impi | 8.686811600000000e+01 | -6.999999996537554e-06 | -1.325757575101809e-01 | PASS |
| spack_foss-2023a_mpi_opt | 8.686811299999999e+01 | -1.000000000317414e-05 | -1.893939394540556e-01 | PASS |
| spack_foss-2023a_valgrind | 8.686812500000001e+01 | 2.000000009161340e-06 | 3.787878805229811e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.686811899999999e+01 | -4.000000004111826e-06 | -7.575757583545124e-02 | PASS |
| spack_foss-2022a_cuda_serial | 8.686812700000000e+01 | 4.000000004111826e-06 | 7.575757583545124e-02 | PASS |