Match comparison for Hyperpolarizability w=0.1 Im (match type 17705)
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 |
| -4.440360400000000e-01 | 9.130000000000001e-06 | -4.440354625000000e-01 | 4.092442184773245e-06 | -4.440348750000000e-01 | 5.014999999997105e-06 | PASS |
Checks for this match
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Detailed information
Reference: -0.44403604, precision: 0.00000913| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.669222343874648e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.440367100000000e-01 | -6.699999999804085e-07 | -7.338444687627693e-02 | PASS |
| spack_foss-2023a_serial | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.669222343874648e-01 | PASS |
| spack_foss-2023a_serial_min | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.669222343874648e-01 | PASS |
| spack_foss-2023b_serial | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.669222343874648e-01 | PASS |
| spack_foss-2022a_serial | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.669222343874648e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.440305900000000e-01 | 5.450000000017940e-06 | 5.969331872965981e-01 | PASS |
| spack_foss-2022a_ppc | -4.440385800000000e-01 | -2.539999999995324e-06 | -2.782037239863443e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.440305900000000e-01 | 5.450000000017940e-06 | 5.969331872965981e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.440299900000000e-01 | 6.050000000035194e-06 | 6.626506024134933e-01 | PASS |
| spack_foss-2022a_mpi | -4.440305900000000e-01 | 5.450000000017940e-06 | 5.969331872965981e-01 | PASS |
| spack_foss-2023a_mpi | -4.440305900000000e-01 | 5.450000000017940e-06 | 5.969331872965981e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.440393900000000e-01 | -3.349999999957554e-06 | -3.669222343874648e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.440305900000000e-01 | 5.450000000017940e-06 | 5.969331872965981e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.440304200000000e-01 | 5.620000000039482e-06 | 6.155531215815424e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.440367100000000e-01 | -6.699999999804085e-07 | -7.338444687627693e-02 | PASS |
| cmake_foss_2022a_min_serial | -4.440367100000000e-01 | -6.699999999804085e-07 | -7.338444687627693e-02 | PASS |
| cmake_foss_2022a_min_mpi | -4.440391800000000e-01 | -3.139999999957066e-06 | -3.439211390971594e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.440389900000000e-01 | -2.950000000001562e-06 | -3.231106243156147e-01 | PASS |
| spack_intel-2023a_serial | -4.440317800000000e-01 | 4.260000000033681e-06 | 4.665936473202279e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.440308400000000e-01 | 5.200000000038507e-06 | 5.695509310009318e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.440394500000000e-01 | -3.409999999981483e-06 | -3.734939759015863e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.440394500000000e-01 | -3.409999999981483e-06 | -3.734939759015863e-01 | PASS |
| spack_intel-2023a_impi | -4.440362100000000e-01 | -1.699999999660307e-07 | -1.861993427886426e-02 | PASS |
| spack_foss-2023a_mpi_opt | -4.440389900000000e-01 | -2.950000000001562e-06 | -3.231106243156147e-01 | PASS |
| spack_foss-2023a_valgrind | -4.440299000000000e-01 | 6.140000000043333e-06 | 6.725082146816356e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.440398900000000e-01 | -3.849999999971931e-06 | -4.216867469848775e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.440298600000000e-01 | 6.180000000022279e-06 | 6.768893756869966e-01 | PASS |