Match comparison for electronic pol. charge (match type 25499)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.841153279999999e+00 | 3.920000000000000e-07 | -7.841153280000000e+00 | 0.000000000000000e+00 | -7.841153280000000e+00 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -7.8411532799999994, precision: 0.000000392| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss-serial: [foss2023a-serial] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss-serial-debug: [foss2023a-serial] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| ppc: [foss2023a-serial] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel-parallel: [intel2023a-mpi] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss-parallel: [foss2023a-mpi] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |