Match comparison for electronic pol. charge (match type 25499)
Commits >
Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 >
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 | -7.841153280000002e+00 | 1.776356839400250e-15 | -7.841153280000000e+00 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -7.8411532799999994, precision: 0.000000392| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2023a_mpi_omp | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| cmake_foss_2022a_min_serial | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| cmake_foss_2022a_full_serial | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| cmake_foss_2022a_min_mpi | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| cmake_foss_2022a_full_mpi | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_intel-2023a_serial | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_intel-2022a_impi_omp | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_intel-2022a_serial_omp | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_intel-2023a_serial_omp | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_intel-2023a_impi | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_serial_min | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2023a_serial_min | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_serial | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2023a_serial | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2023a_serial_opt | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2023b_serial | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_ppc | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_cuda_serial | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2023a_mpi_min | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_mpi_min | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2023a_serial_omp | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2023a_serial_debug | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2023a_mpi_opt | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_mpi | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2023a_mpi | -7.841153280000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |