Match comparison for Energy [step 83] (match type 30954)
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.351221987619888e+01 | 2.640000000000000e-13 | -1.351221987619887e+01 | 9.623949987050990e-14 | -1.351221987619892e+01 | 1.794120407794253e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -13.51221987619888, precision: 0.000000000000264| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.556877268833694e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.556877268833694e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.351221987619887e+01 | 8.881784197001252e-15 | 3.364312195833808e-02 | PASS |
| foss_min_autotools: [foss2022a-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.556877268833694e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.556877268833694e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.556877268833694e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.556877268833694e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.351221987619878e+01 | 1.012523398458143e-13 | 3.835315903250541e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.556877268833694e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351221987619884e+01 | 4.263256414560601e-14 | 1.614869854000228e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.556877268833694e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351221987619884e+01 | 4.263256414560601e-14 | 1.614869854000228e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.351221987619884e+01 | 4.263256414560601e-14 | 1.614869854000228e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351221987619890e+01 | -1.953992523340276e-14 | -7.401486830834378e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.351221987619890e+01 | -1.953992523340276e-14 | -7.401486830834378e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.351221987619896e+01 | -7.815970093361102e-14 | -2.960594732333751e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.351221987619875e+01 | 1.314504061156185e-13 | 4.979182049834036e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.351221987619875e+01 | 1.314504061156185e-13 | 4.979182049834036e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.351221987619875e+01 | 1.314504061156185e-13 | 4.979182049834036e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.351221987619877e+01 | 1.065814103640150e-13 | 4.037174635000569e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.351221987619877e+01 | 1.065814103640150e-13 | 4.037174635000569e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.351221987619884e+01 | 4.263256414560601e-14 | 1.614869854000228e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.556877268833694e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.351221987619891e+01 | -3.197442310920451e-14 | -1.211152390500171e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351221987619882e+01 | 6.394884621840902e-14 | 2.422304781000342e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.351221987619875e+01 | 1.314504061156185e-13 | 4.979182049834036e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.351221987619880e+01 | 7.638334409421077e-14 | 2.893308488417075e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351221987619907e+01 | -1.936228954946273e-13 | -7.334200586917701e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -1.351221987619875e+01 | 1.261213355974178e-13 | 4.777323318084007e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351221987619874e+01 | 1.403321903126198e-13 | 5.315613269417416e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.351221987619910e+01 | -2.184918912462308e-13 | -8.276208001751167e-01 | PASS |