Match comparison for Exchange energy (match type 12948)
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
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 | -2.359241852592593e+00 | 1.376861494998172e-08 | -2.359241870000000e+00 | 2.999999981767587e-08 | PASS |
Checks for this match
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Detailed information
Reference: -2.35924189, precision: 0.000000118| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.359241840000000e+00 | 4.999999969612645e-08 | 4.237288109841225e-01 | PASS |
| spack_foss-2022a_serial | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2022a_serial_min | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2022a_mpi | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023a_mpi | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023a_serial | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023a_serial_min | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023b_serial | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.359241840000000e+00 | 4.999999969612645e-08 | 4.237288109841225e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.359241840000000e+00 | 4.999999969612645e-08 | 4.237288109841225e-01 | PASS |
| spack_intel-2023a_serial | -2.359241900000000e+00 | -9.999999939225290e-09 | -8.474576219682449e-02 | PASS |
| spack_intel-2022a_serial_omp | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_intel-2023a_impi | -2.359241900000000e+00 | -9.999999939225290e-09 | -8.474576219682449e-02 | PASS |
| spack_intel-2023a_serial_omp | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |