Match comparison for Multipoles [step 52] (match type 29257)
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.793333093268998e-03 | 1.000000000000000e-13 | -3.793333093275729e-03 | 3.033670025669669e-14 | -3.793333093294319e-03 | 4.815245424616421e-14 | 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: -0.003793333093268998, precision: 0.0000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| spack_foss-2023a_serial_min | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| spack_foss-2022a_serial | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| spack_foss-2022a_ppc | -3.793333093269580e-03 | -5.824334070592130e-16 | -5.824334070592130e-03 | PASS |
| spack_foss-2022a_mpi_min | -3.793333093266880e-03 | 2.118097364167681e-15 | 2.118097364167681e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.793333093266880e-03 | 2.118097364167681e-15 | 2.118097364167681e-02 | PASS |
| spack_foss-2022a_mpi_opt | -3.793333093266880e-03 | 2.118097364167681e-15 | 2.118097364167681e-02 | PASS |
| spack_foss-2022a_serial_debug | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.793333093257105e-03 | 1.189326415129699e-14 | 1.189326415129699e-01 | PASS |
| spack_foss-2022a_mpi | -3.793333093266880e-03 | 2.118097364167681e-15 | 2.118097364167681e-02 | PASS |
| spack_intel-2023a_impi | -3.793333093303076e-03 | -3.407864268556438e-14 | -3.407864268556438e-01 | PASS |
| spack_foss-2022a_mpi_debug | -3.793333093266880e-03 | 2.118097364167681e-15 | 2.118097364167681e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.793333093329429e-03 | -6.043082700912805e-14 | -6.043082700912805e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.793333093342471e-03 | -7.347334546325968e-14 | -7.347334546325968e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.793333093306446e-03 | -3.744790935678033e-14 | -3.744790935678033e-01 | PASS |
| spack_foss-2022a_valgrind | -3.793333093314067e-03 | -4.506898326761544e-14 | -4.506898326761544e-01 | PASS |