Match comparison for nuclear pol. charge (match type 25500)
Commits >
Commit 0b4356d4fa228266301da10567cd10de2d19abc0 >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.909527199999999e+00 | 3.450000000000000e-06 | 6.909527200000002e+00 | 1.776356839400250e-15 | 6.909527200000000e+00 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 6.909527199999999, precision: 0.00000345| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| cmake_foss_2022a_full_serial | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| cmake_foss_2022a_min_serial | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| cmake_foss_2022a_full_mpi | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| cmake_foss_2022a_min_mpi | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| eb_foss-2022a | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| eb_fosscuda-2022a | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| eb_foss-2022a_debug | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| eb_foss-2022b_libxc6 | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| eb_foss-2022a_mpi | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| foss-2022a_opt | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| foss-2022a_omp | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| intel-2022a | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| intel-2022b | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| eb_foss-2022b_libxc6_mpi | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| eb_foss-2022a_mpi_debug | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| eb_fosscuda-2022a_mpi_omp | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| spack_foss-2022a_serial | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| intel-2022a_omp | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| intel-2022a_impi | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| spack_foss-2022a_serial_debug | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| intel-2022b_impi | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| spack_foss-2022a_serial_min | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| foss-2022a_mpi_omp | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| spack_foss-2022a_serial_opt | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| spack_foss-2022a_serial_omp | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |
| intel-2022a_omp_impi | 6.909527200000000e+00 | 8.881784197001252e-16 | 2.574430202029349e-10 | PASS |