Match comparison for Exchange energy (match type 29768)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.282713600000000e+00 | 2.540000000000000e-04 | -3.282941508888889e+00 | 7.765704916171520e-07 | -3.282942690000000e+00 | 1.710000000043621e-06 | 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: -3.2827136, precision: 0.000254| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.282941320000000e+00 | -2.277199999998203e-04 | -8.965354330701586e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.282941580000000e+00 | -2.279800000000165e-04 | -8.975590551181752e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.282941580000000e+00 | -2.279800000000165e-04 | -8.975590551181752e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.282943920000000e+00 | -2.303200000000061e-04 | -9.067716535433310e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.282941530000000e+00 | -2.279299999998763e-04 | -8.973622047239224e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.282941530000000e+00 | -2.279299999998763e-04 | -8.973622047239224e-01 | PASS |
| spack_foss-2022a_serial_min | -3.282941270000000e+00 | -2.276699999996801e-04 | -8.963385826759058e-01 | PASS |
| spack_foss-2022a_serial | -3.282941270000000e+00 | -2.276699999996801e-04 | -8.963385826759058e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.282940980000000e+00 | -2.273799999996662e-04 | -8.951968503923866e-01 | PASS |
| spack_foss-2022a_mpi | -3.282940980000000e+00 | -2.273799999996662e-04 | -8.951968503923866e-01 | PASS |
| spack_foss-2023a_mpi | -3.282940980000000e+00 | -2.273799999996662e-04 | -8.951968503923866e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.282940980000000e+00 | -2.273799999996662e-04 | -8.951968503923866e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.282940980000000e+00 | -2.273799999996662e-04 | -8.951968503923866e-01 | PASS |
| spack_foss-2023a_serial | -3.282941270000000e+00 | -2.276699999996801e-04 | -8.963385826759058e-01 | PASS |
| spack_foss-2023a_serial_min | -3.282941270000000e+00 | -2.276699999996801e-04 | -8.963385826759058e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.282944400000000e+00 | -2.307999999997534e-04 | -9.086614173218639e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.282941530000000e+00 | -2.279299999998763e-04 | -8.973622047239224e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.282941270000000e+00 | -2.276699999996801e-04 | -8.963385826759058e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.282941580000000e+00 | -2.279800000000165e-04 | -8.975590551181752e-01 | PASS |
| spack_foss-2023b_serial | -3.282941270000000e+00 | -2.276699999996801e-04 | -8.963385826759058e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.282941240000000e+00 | -2.276399999998624e-04 | -8.962204724404031e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.282941540000000e+00 | -2.279399999998155e-04 | -8.974015748024233e-01 | PASS |
| spack_intel-2023a_serial | -3.282941230000000e+00 | -2.276299999999232e-04 | -8.961811023619023e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.282941350000000e+00 | -2.277500000000821e-04 | -8.966535433074097e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.282941350000000e+00 | -2.277500000000821e-04 | -8.966535433074097e-01 | PASS |
| spack_intel-2023a_impi | -3.282941240000000e+00 | -2.276399999998624e-04 | -8.962204724404031e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.282941300000000e+00 | -2.276999999999418e-04 | -8.964566929131569e-01 | PASS |