Match comparison for Force SCF (match type 28217)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.081139430000000e-10 | 2.250000000000000e-10 | -7.270406379708333e-09 | 2.161009974372319e-09 | -4.012561660000000e-09 | 3.909414909999999e-09 | FAIL |
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: -0.00000000030811394300000004, precision: 0.000000000225| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -7.921975149999999e-09 | -7.613861206999999e-09 | -3.383938314222222e+01 | FAIL |
| cmake_foss_2022a_full_mpi | -7.921975620000000e-09 | -7.613861677000000e-09 | -3.383938523111111e+01 | FAIL |
| cmake_foss_2022a_min_serial | -7.921975149999999e-09 | -7.613861206999999e-09 | -3.383938314222222e+01 | FAIL |
| cmake_foss_2022a_min_mpi | -7.921975590000000e-09 | -7.613861647000001e-09 | -3.383938509777778e+01 | FAIL |
| spack_foss-2022a_serial_min | -7.921975149999999e-09 | -7.613861206999999e-09 | -3.383938314222222e+01 | FAIL |
| spack_foss-2022a_serial | -7.921975149999999e-09 | -7.613861206999999e-09 | -3.383938314222222e+01 | FAIL |
| spack_foss-2022a_mpi_min | -7.921975620000000e-09 | -7.613861677000000e-09 | -3.383938523111111e+01 | FAIL |
| spack_foss-2022a_mpi | -7.921975620000000e-09 | -7.613861677000000e-09 | -3.383938523111111e+01 | FAIL |
| spack_foss-2023a_mpi_min | -7.921975620000000e-09 | -7.613861677000000e-09 | -3.383938523111111e+01 | FAIL |
| spack_foss-2023a_mpi | -7.921975620000000e-09 | -7.613861677000000e-09 | -3.383938523111111e+01 | FAIL |
| spack_foss-2023a_serial | -7.921975149999999e-09 | -7.613861206999999e-09 | -3.383938314222222e+01 | FAIL |
| spack_foss-2023a_mpi_opt | -7.921975620000000e-09 | -7.613861677000000e-09 | -3.383938523111111e+01 | FAIL |
| spack_foss-2023a_serial_min | -7.921975149999999e-09 | -7.613861206999999e-09 | -3.383938314222222e+01 | FAIL |
| spack_foss-2023a_serial_opt | -7.921975149999999e-09 | -7.613861206999999e-09 | -3.383938314222222e+01 | FAIL |
| spack_foss-2023a_serial_omp | -7.921974190000000e-09 | -7.613860247000000e-09 | -3.383937887555555e+01 | FAIL |
| spack_foss-2023a_mpi_omp | -7.921974939999999e-09 | -7.613860996999999e-09 | -3.383938220888889e+01 | FAIL |
| spack_foss-2023b_serial | -7.921975149999999e-09 | -7.613861206999999e-09 | -3.383938314222222e+01 | FAIL |
| spack_intel-2022a_serial_omp | -7.921976220000000e-09 | -7.613862277000000e-09 | -3.383938789777778e+01 | FAIL |
| spack_intel-2023a_serial | -7.921974650000001e-09 | -7.613860707000001e-09 | -3.383938092000000e+01 | FAIL |
| spack_intel-2023a_serial_omp | -7.921975990000001e-09 | -7.613862047000001e-09 | -3.383938687555556e+01 | FAIL |
| spack_intel-2023a_impi | -7.921976569999999e-09 | -7.613862626999999e-09 | -3.383938945333333e+01 | FAIL |
| spack_foss-2022a_cuda_mpi_omp | -1.031467500000000e-10 | 2.049671930000000e-10 | 9.109653022222224e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.031475030000000e-10 | 2.049664400000000e-10 | 9.109619555555557e-01 | PASS |
| spack_intel-2022a_impi_omp | -7.921975790000000e-09 | -7.613861847000001e-09 | -3.383938598666667e+01 | FAIL |