Match comparison for 3rd Casida f (match type 13614)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.001630660000000e-10 | 4.270000000000000e-10 | 6.662514936666666e-10 | 1.475054931655942e-10 | 5.202928130000000e-10 | 2.651341680000000e-10 | PASS |
Checks for this match
- Precision seems too large.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.00000000040016306600000004, precision: 0.000000000427| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_min_serial | 7.046991160000000e-10 | 3.045360499999999e-10 | 7.131991803278687e-01 | PASS |
| cmake_foss_2022a_full_serial | 7.046991160000000e-10 | 3.045360499999999e-10 | 7.131991803278687e-01 | PASS |
| spack_foss-2022a_serial_min | 7.046991160000000e-10 | 3.045360499999999e-10 | 7.131991803278687e-01 | PASS |
| cmake_foss_2022a_min_mpi | 7.063819610000000e-10 | 3.062188949999999e-10 | 7.171402693208430e-01 | PASS |
| spack_foss-2022a_ppc | 3.199894960000000e-10 | -8.017357000000002e-11 | -1.877601170960188e-01 | PASS |
| spack_foss-2022a_serial | 7.046991160000000e-10 | 3.045360499999999e-10 | 7.131991803278687e-01 | PASS |
| cmake_foss_2022a_full_mpi | 7.725306250000000e-10 | 3.723675590000000e-10 | 8.720551733021076e-01 | PASS |
| spack_foss-2022a_mpi_min | 7.725306250000000e-10 | 3.723675590000000e-10 | 8.720551733021076e-01 | PASS |
| spack_foss-2022a_mpi | 7.725306250000000e-10 | 3.723675590000000e-10 | 8.720551733021076e-01 | PASS |
| spack_foss-2023a_mpi | 7.725306250000000e-10 | 3.723675590000000e-10 | 8.720551733021076e-01 | PASS |
| spack_foss-2023a_mpi_min | 7.725306250000000e-10 | 3.723675590000000e-10 | 8.720551733021076e-01 | PASS |
| spack_foss-2023a_serial | 7.046991160000000e-10 | 3.045360499999999e-10 | 7.131991803278687e-01 | PASS |
| spack_foss-2023a_mpi_opt | 7.725306250000000e-10 | 3.723675590000000e-10 | 8.720551733021076e-01 | PASS |
| spack_foss-2023a_mpi_debug | 7.725306250000000e-10 | 3.723675590000000e-10 | 8.720551733021076e-01 | PASS |
| spack_foss-2023a_serial_debug | 7.046991160000000e-10 | 3.045360499999999e-10 | 7.131991803278687e-01 | PASS |
| spack_foss-2023a_serial_min | 7.046991160000000e-10 | 3.045360499999999e-10 | 7.131991803278687e-01 | PASS |
| spack_foss-2022a_cuda_serial | 5.622295650000000e-10 | 1.620664989999999e-10 | 3.795468360655735e-01 | PASS |
| spack_foss-2023a_mpi_omp | 7.535201340000000e-10 | 3.533570680000000e-10 | 8.275341170960187e-01 | PASS |
| spack_foss-2023a_serial_opt | 7.046991160000000e-10 | 3.045360499999999e-10 | 7.131991803278687e-01 | PASS |
| spack_foss-2023a_serial_omp | 6.748943070000000e-10 | 2.747312409999999e-10 | 6.433986908665104e-01 | PASS |
| spack_foss-2023b_serial | 7.046991160000000e-10 | 3.045360499999999e-10 | 7.131991803278687e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 6.752469210000000e-10 | 2.750838550000000e-10 | 6.442244847775174e-01 | PASS |
| spack_intel-2023a_serial | 7.854269810000000e-10 | 3.852639149999999e-10 | 9.022574121779857e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.664649810000000e-10 | -1.336980850000001e-10 | -3.131102693208432e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.551586450000000e-10 | -1.450044210000001e-10 | -3.395888079625294e-01 | PASS |
| spack_intel-2023a_impi | 6.815216490000000e-10 | 2.813585830000000e-10 | 6.589193981264636e-01 | PASS |
| spack_intel-2022a_impi_omp | 5.579492700000000e-10 | 1.577862039999999e-10 | 3.695227259953160e-01 | PASS |