Match comparison for Exchange energy (match type 29032)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.014154394000000e+01 | 8.250000000000000e-08 | -1.014154397000000e+01 | 3.316624770198710e-08 | -1.014154392000000e+01 | 5.999999963535174e-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: -10.14154394, precision: 0.0000000825| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2022a_serial_min | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2022a_serial | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2022a_mpi | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2023a_mpi | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2023a_serial | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2023a_serial_min | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2023b_serial | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_intel-2023a_serial | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_intel-2023a_impi | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.014154386000000e+01 | 7.999999951380232e-08 | 9.696969638036644e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.014154386000000e+01 | 7.999999951380232e-08 | 9.696969638036644e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.014154398000000e+01 | -3.999999975690116e-08 | -4.848484819018322e-01 | PASS |