Match comparison for Hyperpolarizability w=0.1 Im (match type 17705)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.440360400000000e-01 | 1.010000000000000e-05 | -4.440363054838710e-01 | 3.627601036772774e-06 | -4.440349300000000e-01 | 4.940000000008826e-06 | PASS |
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Detailed information
Reference: -0.44403604, precision: 0.0000101| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.316831683126291e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.316831683126291e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.316831683126291e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -4.440367100000000e-01 | -6.699999999804085e-07 | -6.633663366142659e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.316831683126291e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.316831683126291e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -4.440367100000000e-01 | -6.699999999804085e-07 | -6.633663366142659e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -4.440317800000000e-01 | 4.260000000033681e-06 | 4.217821782211565e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.316831683126291e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -4.440367100000000e-01 | -6.699999999804085e-07 | -6.633663366142659e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -4.440358400000000e-01 | 2.000000000057511e-07 | 1.980198019858922e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -4.440299900000000e-01 | 6.050000000035194e-06 | 5.990099009935835e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -4.440391800000000e-01 | -3.139999999957066e-06 | -3.108910891046600e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -4.440389900000000e-01 | -2.950000000001562e-06 | -2.920792079209468e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -4.440358400000000e-01 | 2.000000000057511e-07 | 1.980198019858922e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -4.440305900000000e-01 | 5.450000000017940e-06 | 5.396039603978159e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -4.440305900000000e-01 | 5.450000000017940e-06 | 5.396039603978159e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -4.440394500000000e-01 | -3.409999999981483e-06 | -3.376237623744043e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.316831683126291e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -4.440391800000000e-01 | -3.139999999957066e-06 | -3.108910891046600e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -4.440389900000000e-01 | -2.950000000001562e-06 | -2.920792079209468e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -4.440389900000000e-01 | -2.950000000001562e-06 | -2.920792079209468e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -4.440394500000000e-01 | -3.409999999981483e-06 | -3.376237623744043e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -4.440385800000000e-01 | -2.539999999995324e-06 | -2.514851485143885e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -4.440305900000000e-01 | 5.450000000017940e-06 | 5.396039603978159e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -4.440304200000000e-01 | 5.620000000039482e-06 | 5.564356435682656e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -4.440308400000000e-01 | 5.200000000038507e-06 | 5.148514851523275e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -4.440302900000000e-01 | 5.750000000026567e-06 | 5.693069306956997e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -4.440339500000000e-01 | 2.090000000010139e-06 | 2.069306930703108e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -4.440398700000000e-01 | -3.829999999982459e-06 | -3.792079207903424e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -4.440362100000000e-01 | -1.699999999660307e-07 | -1.683168316495353e-02 | PASS |