Match comparison for electronic pol. charge (match type 25479)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.842010250000000e+00 | 3.920000000000000e-07 | -7.842010249999998e+00 | 2.664535259100376e-15 | -7.842010250000000e+00 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -7.8420102499999995, precision: 0.000000392| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_min_autotools: [foss2023a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_min_autotools: [foss2023b-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_min_autotools: [foss2022a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_autotools: [foss2022a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_autotools: [foss2023b-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel_autotools: [intel2023a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_autotools: [foss2023a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |