Match comparison for Hyperpolarizability w=0.0 (match type 17703)
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 |
| -2.464957400000000e+01 | 1.230000000000000e-05 | -1.994897072631579e+01 | 1.085565679092617e+01 | -9.709914450000001e+00 | 1.493965955000000e+01 | FAIL |
Checks for this match
- Precision seems too large.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -24.649574, precision: 0.0000123| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial: [intel2023a-serial] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 5.152019100000000e+00 | 2.980159310000000e+01 | 2.422893747967480e+06 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial-debug: [intel2023a-serial] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -2.464957400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 4.980976000000000e+00 | 2.963055000000000e+01 | 2.408987804878049e+06 | FAIL |
| foss-min-parallel: [foss2022a-mpi] | 5.229745100000000e+00 | 2.987931910000000e+01 | 2.429212934959349e+06 | FAIL |