Match comparison for electronic pol. charge (match type 25479)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
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 | -7.842010249999999e+00 | 1.776356839400250e-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 |
| cmake_foss_2022a_full_serial | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_serial_min | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss-2022a_ppc | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_serial_opt | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_serial | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss-2022a_opt | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel-2022b | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel-2022a | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_serial_omp | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| cmake_foss_2022a_full_mpi | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| spack_foss-2022a_serial_debug | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss-2022a_omp | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel-2022a_omp | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel-2022b_impi | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel-2022a_impi | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| eb_fosscuda-2022a_mpi_omp | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| eb_fosscuda-2022a | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| cmake_foss_2022a_min_serial | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| foss-2022a_mpi_omp | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| cmake_foss_2022a_min_mpi | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| eb_foss-2022a | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| eb_foss-2022b_libxc6 | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| eb_foss-2022a_debug | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| intel-2022a_omp_impi | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| eb_foss-2022a_mpi | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| eb_foss-2022b_libxc6_mpi | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |
| eb_foss-2022a_mpi_debug | -7.842010250000000e+00 | -8.881784197001252e-16 | -2.265761274745217e-09 | PASS |