Match comparison for Multipoles [step 52] (match type 29257)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
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 | -3.793333093257824e-03 | 3.583334795415541e-14 | -3.793333093270914e-03 | 7.059587289748315e-14 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.003793333093268998, precision: 0.0000000000001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.793333093258216e-03 | 1.078174008406485e-14 | 1.078174008406485e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -3.793333093200318e-03 | 6.867943713739777e-14 | 6.867943713739777e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -3.793333093200318e-03 | 6.867943713739777e-14 | 6.867943713739777e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -3.793333093299625e-03 | -3.062697664923952e-14 | -3.062697664923952e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.793333093200318e-03 | 6.867943713739777e-14 | 6.867943713739777e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.793333093213174e-03 | 5.582340145693365e-14 | 5.582340145693365e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.793333093200318e-03 | 6.867943713739777e-14 | 6.867943713739777e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.793333093258758e-03 | 1.023963899782210e-14 | 1.023963899782210e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.793333093266880e-03 | 2.118097364167681e-15 | 2.118097364167681e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.793333093258758e-03 | 1.023963899782210e-14 | 1.023963899782210e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.793333093257105e-03 | 1.189326415129699e-14 | 1.189326415129699e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.793333093266880e-03 | 2.118097364167681e-15 | 2.118097364167681e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.793333093266880e-03 | 2.118097364167681e-15 | 2.118097364167681e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.793333093257105e-03 | 1.189326415129699e-14 | 1.189326415129699e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.793333093246166e-03 | 2.283156302906875e-14 | 2.283156302906875e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.793333093269580e-03 | -5.824334070592130e-16 | -5.824334070592130e-03 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.793333093303076e-03 | -3.407864268556438e-14 | -3.407864268556438e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.793333093266880e-03 | 2.118097364167681e-15 | 2.118097364167681e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.793333093335210e-03 | -6.621179299282076e-14 | -6.621179299282076e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.793333093314596e-03 | -4.559850760865736e-14 | -4.559850760865736e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.793333093306446e-03 | -3.744790935678033e-14 | -3.744790935678033e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.793333093341510e-03 | -7.251230865756852e-14 | -7.251230865756852e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -3.793333093235081e-03 | 3.391731340229853e-14 | 3.391731340229853e-01 | PASS |