Match comparison for Hyperpolarizability w=0.1 Re (match type 17704)
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 |
| 7.510437800000001e+01 | 3.760000000000000e-05 | 7.717056611764706e+01 | 4.463476629339511e+00 | 8.095863650000001e+01 | 5.854260500000002e+00 | FAIL |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 75.10437800000001, precision: 0.0000376| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 7.510437700000000e+01 | -1.000000011686097e-06 | -2.659574499165153e-02 | PASS |
| foss-serial: [foss2023a-serial] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| foss-serial-debug: [foss2023a-serial] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 7.510437600000000e+01 | -2.000000009161340e-06 | -5.319148960535479e-02 | PASS |
| ppc: [foss2023a-serial] | 7.510438100000000e+01 | 2.999999992425728e-06 | 7.978723384110979e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 7.510437700000000e+01 | -1.000000011686097e-06 | -2.659574499165153e-02 | PASS |
| intel-parallel: [intel2023a-mpi] | 7.510437700000000e+01 | -1.000000011686097e-06 | -2.659574499165153e-02 | PASS |
| foss-parallel: [foss2023a-mpi] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 7.510437700000000e+01 | -1.000000011686097e-06 | -2.659574499165153e-02 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 8.681267200000001e+01 | 1.170829400000000e+01 | 3.113907978723403e+05 | FAIL |
| intel-serial-debug: [intel2023a-serial] | 7.510437700000000e+01 | -1.000000011686097e-06 | -2.659574499165153e-02 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 7.510437700000000e+01 | -1.000000011686097e-06 | -2.659574499165153e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 8.681276400000000e+01 | 1.170838599999999e+01 | 3.113932446808508e+05 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 8.681289700000001e+01 | 1.170851900000000e+01 | 3.113967819148935e+05 | FAIL |