Match comparison for Exchange energy (match type 12948)
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Input 03-sodium_chain.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.359241890000000e+00 | 1.180000000000000e-07 | -2.359241856851852e+00 | 8.782152387037245e-09 | -2.359241840000000e+00 | 2.000000010049519e-08 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -2.35924189, precision: 0.000000118| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2022a_serial | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2022a_ppc | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.359241820000000e+00 | 7.000000001866624e-08 | 5.932203391412394e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2022a_mpi | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2023a_mpi | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2023a_serial | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2023a_serial_min | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023b_serial | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_intel-2023a_serial | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_intel-2023a_impi | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.359241830000000e+00 | 5.999999963535174e-08 | 5.084745731809470e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.359241820000000e+00 | 7.000000001866624e-08 | 5.932203391412394e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |