Match comparison for nuclei-solvent int. energy (match type 24962)
Commits >
Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.383757893000000e+01 | 1.190000000000000e-07 | 2.383757892999999e+01 | 7.105427357601002e-15 | 2.383757893000000e+01 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 23.83757893, precision: 0.000000119| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_omp | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6_mpi | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_impi | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a_mpi_omp | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b_impi | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_debug | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_mpi_omp | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp_impi | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | 2.383757893000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |