Match comparison for Exchange energy (match type 12948)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
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 | -2.359241852500000e+00 | 7.216878321009957e-09 | -2.359241855000000e+00 | 1.499999990883794e-08 | PASS |
Checks for this match
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Detailed information
Reference: -2.35924189, precision: 0.000000118| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -2.359241870000000e+00 | 1.999999987845058e-08 | 1.694915243936490e-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_full_mpi | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| eb_fosscuda-2022a | -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 |
| eb_foss-2022a_debug | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| eb_foss-2022b_libxc6 | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| eb_intel-2022a | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| intel-2022b | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| eb_intel-2022a_omp | -2.359241870000000e+00 | 1.999999987845058e-08 | 1.694915243936490e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.359241860000000e+00 | 2.999999981767587e-08 | 2.542372865904735e-01 | PASS |
| eb_intel-2022a_impi | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2022a_serial | -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-2022a_serial_min | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| intel-2022b_impi | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2022a_serial_omp | -2.359241840000000e+00 | 4.999999969612645e-08 | 4.237288109841225e-01 | PASS |
| spack_foss-2022a_serial_opt | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |
| spack_foss-2022a_mpi_omp | -2.359241840000000e+00 | 4.999999969612645e-08 | 4.237288109841225e-01 | PASS |
| eb_intel-2022a_omp_impi | -2.359241850000000e+00 | 3.999999975690116e-08 | 3.389830487872980e-01 | PASS |