Match comparison for Hyperpolarizability w=0.1 Re (match type 17704)
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
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 | 7.695306405263156e+01 | 4.269355539887742e+00 | 8.095857649999999e+01 | 5.854200499999997e+00 | FAIL |
Checks for this match
- GPU 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 |
| foss-serial-zen4: [foss2023a-serial] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| intel-serial: [intel2023a-serial] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| intel-parallel: [intel2023a-mpi] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | 7.510438100000000e+01 | 2.999999992425728e-06 | 7.978723384110979e-02 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| foss-serial: [foss2023a-serial] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 7.510438100000000e+01 | 2.999999992425728e-06 | 7.978723384110979e-02 | PASS |
| ppc: [foss2023a-serial] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 8.681274999999999e+01 | 1.170837199999998e+01 | 3.113928723404251e+05 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 7.510437600000000e+01 | -2.000000009161340e-06 | -5.319148960535479e-02 | PASS |
| intel-serial-debug: [intel2023a-serial] | 7.510438000000001e+01 | 1.999999994950485e-06 | 5.319148922740653e-02 | PASS |
| foss-parallel: [foss2023a-mpi] | 7.510437800000000e+01 | -1.421085471520200e-14 | -3.779482637021810e-10 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 7.510437600000000e+01 | -2.000000009161340e-06 | -5.319148960535479e-02 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 7.510437899999999e+01 | 9.999999832643880e-07 | 2.659574423575500e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 8.681277700000000e+01 | 1.170839899999999e+01 | 3.113935904255316e+05 | FAIL |
| foss-min-parallel: [foss2022a-mpi] | 8.681262800000000e+01 | 1.170824999999999e+01 | 3.113896276595743e+05 | FAIL |