Match comparison for Energy [step 103] (match type 30955)
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.351222686779602e+01 | 3.420000000000000e-13 | -1.351222686779604e+01 | 8.332311157160544e-14 | -1.351222686779604e+01 | 1.758593271006248e-13 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -13.51222686779602, precision: 0.000000000000342| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.351222686779587e+01 | 1.509903313490213e-13 | 4.414921969269628e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.351222686779592e+01 | 9.592326932761353e-14 | 2.804773956947764e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.351222686779608e+01 | -5.684341886080801e-14 | -1.662088270783860e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.351222686779618e+01 | -1.598721155460225e-13 | -4.674623261579606e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.351222686779606e+01 | -4.440892098500626e-14 | -1.298506461549891e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.351222686779606e+01 | -4.440892098500626e-14 | -1.298506461549891e-01 | PASS |
| intel-serial: [intel2023a-serial] | -1.351222686779596e+01 | 6.217248937900877e-14 | 1.817909046169847e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -1.351222686779592e+01 | 1.012523398458143e-13 | 2.960594732333751e-01 | PASS |
| intel-omp: [intel2023a-serial] | -1.351222686779599e+01 | 2.664535259100376e-14 | 7.791038769299344e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351222686779613e+01 | -1.065814103640150e-13 | -3.116415507719738e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.351222686779613e+01 | -1.065814103640150e-13 | -3.116415507719738e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.351222686779608e+01 | -6.394884621840902e-14 | -1.869849304631843e-01 | PASS |
| intel-omp: [intel2022a-serial] | -1.351222686779599e+01 | 2.664535259100376e-14 | 7.791038769299344e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.351222686779613e+01 | -1.065814103640150e-13 | -3.116415507719738e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.351222686779594e+01 | 7.815970093361102e-14 | 2.285371372327808e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -3.531937575415703e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -3.531937575415703e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351222686779603e+01 | -1.421085471520200e-14 | -4.155220676959650e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -3.531937575415703e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -3.531937575415703e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.351222686779599e+01 | 3.197442310920451e-14 | 9.349246523159213e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| valgrind: [foss2023a-serial] | -1.351222686779609e+01 | -6.750155989720952e-14 | -1.973729821555834e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.351222686779602e+01 | 1.776356839400250e-15 | 5.194025846199562e-03 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -1.351222686779622e+01 | -2.007283228522283e-13 | -5.869249206205506e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.351222686779594e+01 | 7.815970093361102e-14 | 2.285371372327808e-01 | PASS |