Match comparison for Energy [step 83] (match type 30954)
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
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 | -1.351221987619888e+01 | 7.563546565705214e-14 | -1.351221987619889e+01 | 1.465494392505207e-13 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: -13.51221987619888, precision: 0.000000000000301| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.351221987619899e+01 | -1.136868377216160e-13 | -3.776971352877609e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.351221987619893e+01 | -5.151434834260726e-14 | -1.711440144272667e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -1.351221987619897e+01 | -9.059419880941277e-14 | -3.009774046824345e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.351221987619883e+01 | 5.506706202140776e-14 | 1.829470499050092e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.351221987619896e+01 | -7.460698725481052e-14 | -2.478637450325931e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.351221987619895e+01 | -7.105427357601002e-14 | -2.360607095548506e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.351221987619895e+01 | -7.105427357601002e-14 | -2.360607095548506e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.351221987619886e+01 | 2.486899575160351e-14 | 8.262124834419771e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.351221987619886e+01 | 2.486899575160351e-14 | 8.262124834419771e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.351221987619895e+01 | -7.105427357601002e-14 | -2.360607095548506e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.351221987619895e+01 | -7.105427357601002e-14 | -2.360607095548506e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.351221987619895e+01 | -7.105427357601002e-14 | -2.360607095548506e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.351221987619895e+01 | -7.105427357601002e-14 | -2.360607095548506e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.351221987619892e+01 | -4.085620730620576e-14 | -1.357349079940391e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351221987619895e+01 | -7.105427357601002e-14 | -2.360607095548506e-01 | PASS |
| intel-serial: [intel2023a-serial] | -1.351221987619903e+01 | -1.527666881884215e-13 | -5.075305255429288e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.351221987619892e+01 | -4.085620730620576e-14 | -1.357349079940391e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351221987619879e+01 | 9.059419880941277e-14 | 3.009774046824345e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.351221987619881e+01 | 7.105427357601002e-14 | 2.360607095548506e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.351221987619881e+01 | 7.460698725481052e-14 | 2.478637450325931e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.351221987619878e+01 | 9.769962616701378e-14 | 3.245834756379196e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351221987619881e+01 | 7.460698725481052e-14 | 2.478637450325931e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.351221987619881e+01 | 7.460698725481052e-14 | 2.478637450325931e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.351221987619883e+01 | 5.329070518200751e-14 | 1.770455321661379e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.351221987619878e+01 | 9.769962616701378e-14 | 3.245834756379196e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351221987619883e+01 | 5.329070518200751e-14 | 1.770455321661379e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.351221987619883e+01 | 5.329070518200751e-14 | 1.770455321661379e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351221987619883e+01 | 5.329070518200751e-14 | 1.770455321661379e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.351221987619883e+01 | 5.151434834260726e-14 | 1.711440144272667e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351221987619890e+01 | -2.309263891220326e-14 | -7.671973060532644e-02 | PASS |
| valgrind: [foss2023a-serial] | -1.351221987619896e+01 | -7.815970093361102e-14 | -2.596667805103356e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351221987619895e+01 | -6.572520305780927e-14 | -2.183561563382368e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.351221987619874e+01 | 1.403321903126198e-13 | 4.662199013708299e-01 | PASS |