Match comparison for Exchange energy (match type 22512)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.298520122000000e+01 | 6.490000000000001e-08 | -1.298520118173913e+01 | 8.157244750117877e-09 | -1.298520120000000e+01 | 1.999999987845058e-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: -12.98520122, precision: 0.0000000649| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2022a_serial_min | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2022a_serial | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2022a_mpi | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2023a_mpi | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2023a_serial | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2023a_serial_min | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2023b_serial | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_intel-2023a_serial | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_intel-2023a_impi | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.298520122000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | -1.298520118000000e+01 | 3.999999975690116e-08 | 6.163328159769054e-01 | PASS |