Match comparison for Partial charge 1 (match type 21321)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.179000000000000e+00 | 2.090000000000000e-02 | 4.159000000000001e+00 | 8.881784197001252e-16 | 4.159000000000000e+00 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 4.179, precision: 0.0209| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| cmake_foss_2022a_min_serial | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| cmake_foss_2022a_full_serial | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| foss-2022a_opt | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| intel-2022b | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| cmake_foss_2022a_min_mpi | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| intel-2022a | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| cmake_foss_2022a_full_mpi | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| eb_foss-2022a | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| foss-2022a_omp | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| intel-2022a_omp | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| intel-2022b_impi | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| intel-2022a_impi | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| eb_foss-2022a_debug | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| eb_fosscuda-2022a | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| eb_foss-2022a_mpi | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| foss-2022a_mpi_omp | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| spack_foss-2022a_serial | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| eb_foss-2022b_libxc6 | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| spack_foss-2022a_serial_min | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| spack_foss-2022a_serial_debug | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| spack_foss-2022a_serial_omp | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| intel-2022a_omp_impi | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| eb_foss-2022a_mpi_debug | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |
| eb_foss-2022a_valgrind | 4.159000000000000e+00 | -2.000000000000046e-02 | -9.569377990430844e-01 | PASS |