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 | -1.298520117181818e+01 | 9.359663873911901e-09 | -1.298520119500000e+01 | 2.500000029215244e-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 |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_ppc | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_mpi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_serial | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_serial_min | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023a_serial | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023a_mpi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023a_serial_min | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023b_serial | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_intel-2023a_serial | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_intel-2023a_impi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.298520122000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.298520122000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |