Match comparison for Energy [step 52] (match type 31023)
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.351221767670754e+01 | 4.630000000000000e-13 | -1.351221767670758e+01 | 7.190705570794146e-14 | -1.351221767670765e+01 | 1.776356839400250e-13 | PASS |
Checks for this match
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Detailed information
Reference: -13.512217676707541, precision: 0.000000000000463| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.351221767670764e+01 | -1.030286966852145e-13 | -2.225241829054309e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.351221767670776e+01 | -2.149391775674303e-13 | -4.642314850268472e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -1.351221767670758e+01 | -3.907985046680551e-14 | -8.440572455033586e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.351221767670763e+01 | -9.059419880941277e-14 | -1.956678160030513e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.351221767670770e+01 | -1.598721155460225e-13 | -3.452961458877377e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.351221767670759e+01 | -4.440892098500626e-14 | -9.591559607992713e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.351221767670759e+01 | -4.440892098500626e-14 | -9.591559607992713e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.351221767670761e+01 | -6.750155989720952e-14 | -1.457917060414892e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.351221767670761e+01 | -6.750155989720952e-14 | -1.457917060414892e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.351221767670759e+01 | -4.440892098500626e-14 | -9.591559607992713e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.351221767670759e+01 | -4.440892098500626e-14 | -9.591559607992713e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.351221767670759e+01 | -4.440892098500626e-14 | -9.591559607992713e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.351221767670759e+01 | -4.440892098500626e-14 | -9.591559607992713e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.351221767670747e+01 | 6.750155989720952e-14 | 1.457917060414892e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351221767670759e+01 | -4.440892098500626e-14 | -9.591559607992713e-02 | PASS |
| intel-serial: [intel2023a-serial] | -1.351221767670762e+01 | -7.638334409421077e-14 | -1.649748252574746e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.351221767670747e+01 | 6.750155989720952e-14 | 1.457917060414892e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351221767670752e+01 | 1.953992523340276e-14 | 4.220286227516793e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.351221767670748e+01 | 6.394884621840902e-14 | 1.381184583550951e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.351221767670754e+01 | 3.552713678800501e-15 | 7.673247686394170e-03 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.351221767670758e+01 | -4.085620730620576e-14 | -8.824234839353295e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351221767670754e+01 | 3.552713678800501e-15 | 7.673247686394170e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.351221767670754e+01 | 3.552713678800501e-15 | 7.673247686394170e-03 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.351221767670755e+01 | -5.329070518200751e-15 | -1.150987152959125e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.351221767670758e+01 | -4.085620730620576e-14 | -8.824234839353295e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351221767670755e+01 | -5.329070518200751e-15 | -1.150987152959125e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.351221767670755e+01 | -5.329070518200751e-15 | -1.150987152959125e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351221767670755e+01 | -5.329070518200751e-15 | -1.150987152959125e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.351221767670752e+01 | 2.131628207280301e-14 | 4.603948611836502e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351221767670759e+01 | -4.440892098500626e-14 | -9.591559607992713e-02 | PASS |
| valgrind: [foss2023a-serial] | -1.351221767670754e+01 | -1.776356839400250e-15 | -3.836623843197085e-03 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351221767670783e+01 | -2.877698079828406e-13 | -6.215330625979277e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.351221767670762e+01 | -8.171241461241152e-14 | -1.764846967870659e-01 | PASS |