Match comparison for electronic pol. charge (match type 12042)
Commits >
Commit 2ba62b4e5b3c7dac99914e88831daed234f640f9 >
Input 32-tdpcm_methane.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.889902200000000e+00 | 3.940000000000000e-06 | -7.889902199999999e+00 | 8.881784197001252e-16 | -7.889902200000000e+00 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -7.8899022, precision: 0.00000394| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_ppc | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_opt | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_omp | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_debug | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b_impi | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_impi | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a_mpi_omp | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_mpi_omp | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp_impi | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6_mpi | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | -7.889902200000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |