Match comparison for Total energy (match type 28345)
Commits >
Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e >
Input 09-basis_from_states.03-intersite.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.175832407999999e+01 | 2.090000000000000e-07 | -4.175832408384615e+01 | 6.249260828324571e-09 | -4.175832408000000e+01 | 1.000000082740371e-08 | PASS |
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Detailed information
Reference: -41.758324079999994, precision: 0.000000209| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| foss-2022a_ppc | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_serial_min | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_serial | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| foss-2022a_opt | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| cmake_foss_2022a_min_mpi | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| intel-2022a | -4.175832407000000e+01 | 9.999993721976352e-09 | 4.784685991376245e-02 | PASS |
| cmake_foss_2022a_full_mpi | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_serial_omp | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| spack_foss-2022a_serial_debug | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| foss-2022a_omp | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| cmake_foss_2022a_min_serial | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| eb_fosscuda-2022a | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| intel-2022a_omp | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| intel-2022b_impi | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| intel-2022a_impi | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| foss-2022a_mpi_omp | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| eb_foss-2022a | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| eb_foss-2022b_libxc6 | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| eb_foss-2022a_debug | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| intel-2022a_omp_impi | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| eb_foss-2022a_mpi | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| eb_foss-2022b_libxc6_mpi | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| eb_foss-2022a_mpi_debug | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| intel-2022b | -4.175832407000000e+01 | 9.999993721976352e-09 | 4.784685991376245e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |