Match comparison for Hyperpolarizability w=0.1 Im (match type 17705)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.995406400000000e-01 | 7.419999999999999e-07 | -3.995406754838710e-01 | 3.004065923073561e-07 | -3.995406350000000e-01 | 6.749999999777767e-07 | PASS |
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Detailed information
Reference: -0.39954064, precision: 0.000000742| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.995406100000000e-01 | 2.999999998420932e-08 | 4.043126682507996e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.995406100000000e-01 | 2.999999998420932e-08 | 4.043126682507996e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.995406100000000e-01 | 2.999999998420932e-08 | 4.043126682507996e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.995407900000000e-01 | -1.499999999765578e-07 | -2.021563342002126e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.995409200000000e-01 | -2.800000000191538e-07 | -3.773584905918516e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.995409200000000e-01 | -2.800000000191538e-07 | -3.773584905918516e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.995399600000000e-01 | 6.799999999751449e-07 | 9.164420484840229e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.995399600000000e-01 | 6.799999999751449e-07 | 9.164420484840229e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.995399600000000e-01 | 6.799999999751449e-07 | 9.164420484840229e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.995407700000000e-01 | -1.299999999870849e-07 | -1.752021563168260e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.995407700000000e-01 | -1.299999999870849e-07 | -1.752021563168260e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.995409700000000e-01 | -3.299999999928360e-07 | -4.447439353003181e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.995407700000000e-01 | -1.299999999870849e-07 | -1.752021563168260e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.995409700000000e-01 | -3.299999999928360e-07 | -4.447439353003181e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.995408000000000e-01 | -1.599999999712942e-07 | -2.156334231419060e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.995413100000000e-01 | -6.699999999804085e-07 | -9.029649595423296e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.995407700000000e-01 | -1.299999999870849e-07 | -1.752021563168260e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.995405500000000e-01 | 9.000000000813912e-08 | 1.212938005500527e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.995403100000000e-01 | 3.299999999928360e-07 | 4.447439353003181e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.995401800000000e-01 | 4.599999999799209e-07 | 6.199460916171441e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -3.995408200000000e-01 | -1.800000000162782e-07 | -2.425876011001055e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.995407700000000e-01 | -1.299999999870849e-07 | -1.752021563168260e-01 | PASS |