Match comparison for Hyperpolarizability w=0.1 Im (match type 17705)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
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 | -3.833682270588236e-01 | 3.493642919860581e-02 | -3.537074950000000e-01 | 4.583347499999998e-02 | FAIL |
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Detailed information
Reference: -0.39954064, precision: 0.000000742| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -3.995407900000000e-01 | -1.499999999765578e-07 | -2.021563342002126e-01 | PASS |
| foss-serial: [foss2023a-serial] | -3.995406100000000e-01 | 2.999999998420932e-08 | 4.043126682507996e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.995409700000000e-01 | -3.299999999928360e-07 | -4.447439353003181e-01 | PASS |
| ppc: [foss2023a-serial] | -3.995399900000000e-01 | 6.499999999909356e-07 | 8.760107816589430e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.995403100000000e-01 | 3.299999999928360e-07 | 4.447439353003181e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.995407900000000e-01 | -1.499999999765578e-07 | -2.021563342002126e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -3.995403100000000e-01 | 3.299999999928360e-07 | 4.447439353003181e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.995407100000000e-01 | -7.000000001866624e-08 | -9.433962266666610e-02 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.995407700000000e-01 | -1.299999999870849e-07 | -1.752021563168260e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -3.995407600000000e-01 | -1.199999999923484e-07 | -1.617250673751327e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.078740200000000e-01 | 9.166661999999998e-02 | 1.235399191374663e+05 | FAIL |
| intel-serial-debug: [intel2023a-serial] | -3.995407900000000e-01 | -1.499999999765578e-07 | -2.021563342002126e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -3.995407900000000e-01 | -1.499999999765578e-07 | -2.021563342002126e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.079252000000000e-01 | 9.161543999999999e-02 | 1.234709433962264e+05 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -3.078915300000000e-01 | 9.164910999999998e-02 | 1.235163207547170e+05 | FAIL |