Match comparison for Exchange energy (match type 1020)
Commits >
Commit 82f7aa8a8814f63eea2470b6e96d2be6e7b330f6 >
Input 28-carbon_big_box.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.067869100000000e-01 | 1.000000000000000e-04 | -3.067801600000001e-01 | 5.551115123125783e-17 | -3.067801600000000e-01 | 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: -0.30678691, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_serial | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| intel-2022b | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| intel-2022a | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| eb_fosscuda-2022a | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| eb_foss-2022a | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| intel-2022a_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| intel-2022b_impi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| intel-2022a_impi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| eb_foss-2022a_debug | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| eb_foss-2022a_mpi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| eb_foss-2022a_mpi_debug | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| eb_foss-2022b_libxc6 | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| foss-2022a_opt | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_serial_min | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| foss-2022a_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_serial_debug | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_serial_opt | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| intel-2022a_omp_impi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| spack_foss-2022a_serial_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| foss-2022a_mpi_omp | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |
| eb_foss-2022a_valgrind | -3.067801600000000e-01 | 6.749999999999812e-06 | 6.749999999999812e-02 | PASS |