Match comparison for Force SCF (match type 28222)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.157065015000000e-10 | 1.260000000000000e-10 | 8.586136632916667e-10 | 2.892760153581083e-10 | 4.225137845000001e-10 | 5.233202945000000e-10 | FAIL |
Checks for this match
- GPU builders have different values.
- Precision seems too large.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.0000000002157065015, precision: 0.000000000126| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 9.458338189999999e-10 | 1.161540320500000e-09 | 9.218573972222222e+00 | FAIL |
| cmake_foss_2022a_full_mpi | 9.458336219999999e-10 | 1.161540123500000e-09 | 9.218572408730157e+00 | FAIL |
| cmake_foss_2022a_min_serial | 9.458338189999999e-10 | 1.161540320500000e-09 | 9.218573972222222e+00 | FAIL |
| cmake_foss_2022a_min_mpi | 9.458333820000001e-10 | 1.161539883500000e-09 | 9.218570503968255e+00 | FAIL |
| spack_foss-2022a_serial_min | 9.458338189999999e-10 | 1.161540320500000e-09 | 9.218573972222222e+00 | FAIL |
| spack_foss-2022a_serial | 9.458338189999999e-10 | 1.161540320500000e-09 | 9.218573972222222e+00 | FAIL |
| spack_foss-2022a_mpi_min | 9.458336219999999e-10 | 1.161540123500000e-09 | 9.218572408730157e+00 | FAIL |
| spack_foss-2022a_mpi | 9.458336219999999e-10 | 1.161540123500000e-09 | 9.218572408730157e+00 | FAIL |
| spack_foss-2023a_mpi_min | 9.458336219999999e-10 | 1.161540123500000e-09 | 9.218572408730157e+00 | FAIL |
| spack_foss-2023a_mpi | 9.458336219999999e-10 | 1.161540123500000e-09 | 9.218572408730157e+00 | FAIL |
| spack_foss-2023a_serial | 9.458338189999999e-10 | 1.161540320500000e-09 | 9.218573972222222e+00 | FAIL |
| spack_foss-2023a_mpi_opt | 9.458336219999999e-10 | 1.161540123500000e-09 | 9.218572408730157e+00 | FAIL |
| spack_foss-2023a_serial_min | 9.458338189999999e-10 | 1.161540320500000e-09 | 9.218573972222222e+00 | FAIL |
| spack_foss-2023a_serial_opt | 9.458338189999999e-10 | 1.161540320500000e-09 | 9.218573972222222e+00 | FAIL |
| spack_foss-2023a_serial_omp | 9.458333290000000e-10 | 1.161539830500000e-09 | 9.218570083333333e+00 | FAIL |
| spack_foss-2023a_mpi_omp | 9.458332839999999e-10 | 1.161539785500000e-09 | 9.218569726190475e+00 | FAIL |
| spack_foss-2023b_serial | 9.458338189999999e-10 | 1.161540320500000e-09 | 9.218573972222222e+00 | FAIL |
| spack_intel-2022a_serial_omp | 9.458340790000001e-10 | 1.161540580500000e-09 | 9.218576035714285e+00 | FAIL |
| spack_intel-2023a_serial | 9.458335319999999e-10 | 1.161540033500000e-09 | 9.218571694444444e+00 | FAIL |
| spack_intel-2023a_serial_omp | 9.458334950000000e-10 | 1.161539996500000e-09 | 9.218571400793650e+00 | FAIL |
| spack_intel-2023a_impi | 9.458332280000001e-10 | 1.161539729500000e-09 | 9.218569281746031e+00 | FAIL |
| spack_foss-2022a_cuda_mpi_omp | -1.008061710000000e-10 | 1.149003305000000e-10 | 9.119073849206349e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.008065100000000e-10 | 1.148999915000000e-10 | 9.119046944444444e-01 | PASS |
| spack_intel-2022a_impi_omp | 9.458339870000000e-10 | 1.161540488500000e-09 | 9.218575305555555e+00 | FAIL |