Match comparison for Hyperpolarizability w=0.1 Re (match type 17704)
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
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 | 8.686811637037036e+01 | 8.147474718666166e-06 | 8.686810800000001e+01 | 2.099999999671809e-05 | PASS |
Checks for this match
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Detailed information
Reference: 86.868123, precision: 0.0000528| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 8.686812900000000e+01 | 5.999999999062311e-06 | 1.136363636186044e-01 | PASS |
| cmake_foss_2022a_full_serial | 8.686811600000000e+01 | -6.999999996537554e-06 | -1.325757575101809e-01 | PASS |
| spack_foss-2022a_serial | 8.686811400000001e+01 | -8.999999991488039e-06 | -1.704545452933341e-01 | PASS |
| foss-2022a_opt | 8.686811200000000e+01 | -1.100000000064938e-05 | -2.083333333456322e-01 | PASS |
| intel-2022b | 8.686811299999999e+01 | -1.000000000317414e-05 | -1.893939394540556e-01 | PASS |
| intel-2022a | 8.686811299999999e+01 | -1.000000000317414e-05 | -1.893939394540556e-01 | PASS |
| cmake_foss_2022a_min_mpi | 8.686812700000000e+01 | 4.000000004111826e-06 | 7.575757583545124e-02 | PASS |
| spack_foss-2022a_serial_debug | 8.686811400000001e+01 | -8.999999991488039e-06 | -1.704545452933341e-01 | PASS |
| cmake_foss_2022a_full_mpi | 8.686811400000001e+01 | -8.999999991488039e-06 | -1.704545452933341e-01 | PASS |
| foss-2022a_omp | 8.686811200000000e+01 | -1.100000000064938e-05 | -2.083333333456322e-01 | PASS |
| eb_fosscuda-2022a | 8.686812800000000e+01 | 5.000000001587068e-06 | 9.469696972702780e-02 | PASS |
| cmake_foss_2022a_min_serial | 8.686811600000000e+01 | -6.999999996537554e-06 | -1.325757575101809e-01 | PASS |
| intel-2022a_omp | 8.686811899999999e+01 | -4.000000004111826e-06 | -7.575757583545124e-02 | PASS |
| intel-2022b_impi | 8.686811500000000e+01 | -7.999999994012796e-06 | -1.515151514017575e-01 | PASS |
| intel-2022a_impi | 8.686811500000000e+01 | -7.999999994012796e-06 | -1.515151514017575e-01 | PASS |
| foss-2022a_mpi_omp | 8.686811400000001e+01 | -8.999999991488039e-06 | -1.704545452933341e-01 | PASS |
| eb_foss-2022a | 8.686812700000000e+01 | 4.000000004111826e-06 | 7.575757583545124e-02 | PASS |
| spack_foss-2022a_serial_min | 8.686811400000001e+01 | -8.999999991488039e-06 | -1.704545452933341e-01 | PASS |
| eb_foss-2022b_libxc6 | 8.686808700000000e+01 | -3.599999999437387e-05 | -6.818181817116262e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 8.686811800000000e+01 | -5.000000001587068e-06 | -9.469696972702780e-02 | PASS |
| eb_foss-2022a_debug | 8.686812700000000e+01 | 4.000000004111826e-06 | 7.575757583545124e-02 | PASS |
| spack_foss-2022a_serial_omp | 8.686811299999999e+01 | -1.000000000317414e-05 | -1.893939394540556e-01 | PASS |
| intel-2022a_omp_impi | 8.686811400000001e+01 | -8.999999991488039e-06 | -1.704545452933341e-01 | PASS |
| eb_foss-2022a_mpi | 8.686811400000001e+01 | -8.999999991488039e-06 | -1.704545452933341e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 8.686812900000000e+01 | 5.999999999062311e-06 | 1.136363636186044e-01 | PASS |
| eb_foss-2022a_mpi_debug | 8.686811400000001e+01 | -8.999999991488039e-06 | -1.704545452933341e-01 | PASS |
| eb_foss-2022a_valgrind | 8.686811400000001e+01 | -8.999999991488039e-06 | -1.704545452933341e-01 | PASS |