Match comparison for Energy [step 103] (match type 30955)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
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 | 2.760000000000000e-13 | -1.351222686779602e+01 | 7.202229675238272e-14 | -1.351222686779602e+01 | 1.234568003383174e-13 | PASS |
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Detailed information
Reference: -13.51222686779602, precision: 0.000000000000276| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351222686779600e+01 | 2.486899575160351e-14 | 9.010505707102720e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 9.010505707102720e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.351222686779606e+01 | -4.440892098500626e-14 | -1.609018876268343e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 9.010505707102720e-02 | PASS |
| foss_min_autotools: [foss2022a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 9.010505707102720e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 9.010505707102720e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 9.010505707102720e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 9.010505707102720e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 9.010505707102720e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -1.351222686779596e+01 | 6.217248937900877e-14 | 2.252626426775680e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -4.376531343449893e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -4.376531343449893e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -4.376531343449893e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351222686779613e+01 | -1.065814103640150e-13 | -3.861645303044023e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.351222686779613e+01 | -1.065814103640150e-13 | -3.861645303044023e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.351222686779608e+01 | -6.394884621840902e-14 | -2.316987181826414e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.351222686779594e+01 | 7.815970093361102e-14 | 2.831873222232283e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.351222686779594e+01 | 7.815970093361102e-14 | 2.831873222232283e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.351222686779600e+01 | 2.486899575160351e-14 | 9.010505707102720e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.351222686779594e+01 | 7.815970093361102e-14 | 2.831873222232283e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.351222686779595e+01 | 6.572520305780927e-14 | 2.381347936877148e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351222686779603e+01 | -1.421085471520200e-14 | -5.148860404058697e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.351222686779597e+01 | 5.329070518200751e-14 | 1.930822651522011e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.351222686779594e+01 | 7.815970093361102e-14 | 2.831873222232283e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351222686779614e+01 | -1.207922650792170e-13 | -4.376531343449893e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351222686779589e+01 | 1.261213355974178e-13 | 4.569613608602094e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.351222686779599e+01 | 3.197442310920451e-14 | 1.158493590913207e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -1.351222686779602e+01 | 1.776356839400250e-15 | 6.436075505073371e-03 | PASS |