Match comparison for Energy [step 103] (match type 30955)
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
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 | -1.351222686779603e+01 | 8.227702251042259e-14 | -1.351222686779605e+01 | 1.811883976188255e-13 | PASS |
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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_cmake: [foss2022a-serial, foss-min] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | 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_cmake: [foss2022a-serial, foss-full] | -1.351222686779606e+01 | -4.440892098500626e-14 | -1.298506461549891e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| foss_autotools: [foss2022a-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_autotools: [intel2023a-serial] | -1.351222686779596e+01 | 6.217248937900877e-14 | 1.817909046169847e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351222686779613e+01 | -1.065814103640150e-13 | -3.116415507719738e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 7.271636184679388e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.351222686779599e+01 | 2.664535259100376e-14 | 7.791038769299344e-02 | PASS |
| intel_omp_autotools: [intel2023a-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_opt_autotools: [foss2023a-mpi] | -1.351222686779594e+01 | 7.815970093361102e-14 | 2.285371372327808e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.351222686779608e+01 | -6.394884621840902e-14 | -1.869849304631843e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.351222686779594e+01 | 7.815970093361102e-14 | 2.285371372327808e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.351222686779594e+01 | 7.815970093361102e-14 | 2.285371372327808e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.351222686779595e+01 | 6.572520305780927e-14 | 1.921789563093838e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -3.531937575415703e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -3.531937575415703e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.351222686779606e+01 | -3.907985046680551e-14 | -1.142685686163904e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351222686779603e+01 | -1.421085471520200e-14 | -4.155220676959650e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -3.531937575415703e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -3.531937575415703e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.351222686779594e+01 | 7.815970093361102e-14 | 2.285371372327808e-01 | PASS |
| foss_mpi_omp_autotools: [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 |
| foss_valgrind_autotools: [foss2023a-serial] | -1.351222686779609e+01 | -6.750155989720952e-14 | -1.973729821555834e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351222686779623e+01 | -2.113864638886298e-13 | -6.180890756977480e-01 | PASS |