Match comparison for Polarizability XX w=0.1 (match type 17698)
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 |
| 1.568035400000000e+01 | 7.839999999999999e-06 | 1.568035429411765e+01 | 2.320362697065840e-06 | 1.568035550000000e+01 | 6.500000000464468e-06 | 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: 15.680354, precision: 0.00000784| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 1.568034900000000e+01 | -4.999999999810711e-06 | -6.377551020166724e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 1.568035400000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 1.568036200000000e+01 | 8.000000001118224e-06 | 1.020408163407937e+00 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 1.568035600000000e+01 | 2.000000000279556e-06 | 2.551020408519842e-01 | PASS |