Match comparison for Polarizability yy (match type 21515)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 37-sternheimer_polarized.02-em_resp.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.708003000000000e+00 | 2.350000000000000e-05 | 4.708000357142858e+00 | 1.108869621316426e-06 | 4.707999000000000e+00 | 2.000000000279556e-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: 4.708003, precision: 0.0000235| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2022a_ppc | 4.708000000000000e+00 | -2.999999999531155e-06 | -1.276595744481343e-01 | PASS |
| cmake_foss_2022a_min_serial | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| cmake_foss_2022a_min_mpi | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| cmake_foss_2022a_full_mpi | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2022a_mpi_min | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2022a_mpi | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2022a_serial | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2022a_serial_min | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2023a_mpi | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2023a_mpi_min | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2023a_serial_min | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2023a_serial | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2023a_mpi_opt | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2023a_mpi_debug | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2023a_serial_opt | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2023b_serial | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2023a_serial_debug | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2023a_serial_omp | 4.707999000000000e+00 | -3.999999999670933e-06 | -1.702127659434440e-01 | PASS |
| spack_intel-2022a_serial_omp | 4.708000000000000e+00 | -2.999999999531155e-06 | -1.276595744481343e-01 | PASS |
| spack_foss-2023a_mpi_omp | 4.707999000000000e+00 | -3.999999999670933e-06 | -1.702127659434440e-01 | PASS |
| spack_intel-2023a_serial | 4.708000000000000e+00 | -2.999999999531155e-06 | -1.276595744481343e-01 | PASS |
| spack_intel-2023a_impi | 4.708000000000000e+00 | -2.999999999531155e-06 | -1.276595744481343e-01 | PASS |
| spack_foss-2023a_valgrind | 4.708001000000000e+00 | -1.999999999391378e-06 | -8.510638295282458e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 4.707997000000000e+00 | -5.999999999950489e-06 | -2.553191489340634e-01 | PASS |
| spack_intel-2023a_serial_omp | 4.708000000000000e+00 | -2.999999999531155e-06 | -1.276595744481343e-01 | PASS |
| spack_intel-2022a_impi_omp | 4.708000000000000e+00 | -2.999999999531155e-06 | -1.276595744481343e-01 | PASS |
| spack_foss-2022a_cuda_serial | 4.707997000000000e+00 | -5.999999999950489e-06 | -2.553191489340634e-01 | PASS |