Match comparison for Energy [step 83] (match type 30954)
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
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 | 3.010000000000000e-13 | -1.351221987619887e+01 | 7.235974558818549e-14 | -1.351221987619885e+01 | 1.127986593019159e-13 | PASS |
Checks for this match
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Detailed information
Reference: -13.51221987619888, precision: 0.000000000000301| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.351221987619889e+01 | -1.065814103640150e-14 | -3.540910643322759e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.351221987619894e+01 | -6.217248937900877e-14 | -2.065531208604943e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.351221987619895e+01 | -6.572520305780927e-14 | -2.183561563382368e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.351221987619896e+01 | -7.460698725481052e-14 | -2.478637450325931e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.242576740771081e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.242576740771081e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.242576740771081e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.242576740771081e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.351221987619887e+01 | 8.881784197001252e-15 | 2.950758869435632e-02 | PASS |
| intel-serial: [intel2023a-serial] | -1.351221987619878e+01 | 1.012523398458143e-13 | 3.363865111156621e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.351221987619887e+01 | 8.881784197001252e-15 | 2.950758869435632e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.242576740771081e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.242576740771081e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -1.351221987619881e+01 | 6.750155989720952e-14 | 2.242576740771081e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.351221987619895e+01 | -6.750155989720952e-14 | -2.242576740771081e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351221987619890e+01 | -1.953992523340276e-14 | -6.491669512758391e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.351221987619877e+01 | 1.065814103640150e-13 | 3.540910643322759e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.351221987619890e+01 | -1.953992523340276e-14 | -6.491669512758391e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.351221987619896e+01 | -7.815970093361102e-14 | -2.596667805103356e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.351221987619890e+01 | -1.953992523340276e-14 | -6.491669512758391e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.351221987619877e+01 | 1.065814103640150e-13 | 3.540910643322759e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.351221987619875e+01 | 1.314504061156185e-13 | 4.367123126764736e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351221987619884e+01 | 4.263256414560601e-14 | 1.416364257329104e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351221987619884e+01 | 4.263256414560601e-14 | 1.416364257329104e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.351221987619880e+01 | 7.638334409421077e-14 | 2.537652627714644e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351221987619882e+01 | 6.394884621840902e-14 | 2.124546385993655e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.351221987619884e+01 | 4.263256414560601e-14 | 1.416364257329104e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.351221987619884e+01 | 4.263256414560601e-14 | 1.416364257329104e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.351221987619875e+01 | 1.314504061156185e-13 | 4.367123126764736e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.351221987619880e+01 | 7.638334409421077e-14 | 2.537652627714644e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351221987619897e+01 | -8.526512829121202e-14 | -2.832728514658207e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351221987619874e+01 | 1.403321903126198e-13 | 4.662199013708299e-01 | PASS |
| valgrind: [foss2023a-serial] | -1.351221987619887e+01 | 1.421085471520200e-14 | 4.721214191097012e-02 | PASS |