Match comparison for Hyperpolarizability w=0.1 Im (match type 17705)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
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 | -4.440373939285714e-01 | 3.728912460450214e-06 | -4.440358000000000e-01 | 5.559999999987797e-06 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: -0.44403604, precision: 0.00000913| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.440413600000000e-01 | -5.319999999975344e-06 | -5.826944140170147e-01 | PASS |
| spack_foss-2022a_serial_min | -4.440385200000000e-01 | -2.479999999971394e-06 | -2.716319824722228e-01 | PASS |
| foss-2022a_ppc | -4.440311900000000e-01 | 4.850000000000687e-06 | 5.312157721797028e-01 | PASS |
| spack_foss-2022a_serial_opt | -4.440413600000000e-01 | -5.319999999975344e-06 | -5.826944140170147e-01 | PASS |
| spack_foss-2022a_serial | -4.440385200000000e-01 | -2.479999999971394e-06 | -2.716319824722228e-01 | PASS |
| foss-2022a_opt | -4.440391800000000e-01 | -3.139999999957066e-06 | -3.439211390971594e-01 | PASS |
| intel-2022b | -4.440392400000000e-01 | -3.199999999980996e-06 | -3.504928806112810e-01 | PASS |
| intel-2022a | -4.440392400000000e-01 | -3.199999999980996e-06 | -3.504928806112810e-01 | PASS |
| spack_foss-2022a_serial_omp | -4.440391800000000e-01 | -3.139999999957066e-06 | -3.439211390971594e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.440385300000000e-01 | -2.489999999966130e-06 | -2.727272727235630e-01 | PASS |
| spack_foss-2022a_serial_debug | -4.440385200000000e-01 | -2.479999999971394e-06 | -2.716319824722228e-01 | PASS |
| foss-2022a_omp | -4.440391200000000e-01 | -3.079999999988647e-06 | -3.373493975891180e-01 | PASS |
| intel-2022a_omp | -4.440397600000000e-01 | -3.719999999984847e-06 | -4.074479737113742e-01 | PASS |
| intel-2022b_impi | -4.440391900000000e-01 | -3.149999999951802e-06 | -3.450164293484997e-01 | PASS |
| intel-2022a_impi | -4.440391900000000e-01 | -3.149999999951802e-06 | -3.450164293484997e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -4.440307200000000e-01 | 5.320000000030856e-06 | 5.826944140230947e-01 | PASS |
| eb_fosscuda-2022a | -4.440304400000000e-01 | 5.599999999994498e-06 | 6.133625410727818e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.440413600000000e-01 | -5.319999999975344e-06 | -5.826944140170147e-01 | PASS |
| foss-2022a_mpi_omp | -4.440393400000000e-01 | -3.299999999983871e-06 | -3.614457831307635e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.440410200000000e-01 | -4.979999999987772e-06 | -5.454545454532060e-01 | PASS |
| eb_foss-2022a | -4.440302400000000e-01 | 5.800000000000249e-06 | 6.352683461117469e-01 | PASS |
| eb_foss-2022b_libxc6 | -4.440370400000000e-01 | -9.999999999732445e-07 | -1.095290251887453e-01 | PASS |
| eb_foss-2022a_debug | -4.440302400000000e-01 | 5.800000000000249e-06 | 6.352683461117469e-01 | PASS |
| intel-2022a_omp_impi | -4.440357100000000e-01 | 3.300000000483472e-07 | 3.614457831854843e-02 | PASS |
| eb_foss-2022a_mpi | -4.440393500000000e-01 | -3.309999999978608e-06 | -3.625410733821038e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -4.440307800000000e-01 | 5.260000000006926e-06 | 5.761226725089732e-01 | PASS |
| eb_foss-2022a_mpi_debug | -4.440393500000000e-01 | -3.309999999978608e-06 | -3.625410733821038e-01 | PASS |
| eb_foss-2022a_valgrind | -4.440393400000000e-01 | -3.299999999983871e-06 | -3.614457831307635e-01 | PASS |