Match comparison for Energy [step 52] (match type 29255)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.351350086579652e+01 | 5.000000000000000e-13 | -1.351350086579644e+01 | 1.742920198223097e-13 | -1.351350086579649e+01 | 2.664535259100376e-13 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -13.513500865796521, precision: 0.0000000000005| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -1.351350086579644e+01 | 8.526512829121202e-14 | 1.705302565824240e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.351350086579634e+01 | 1.794120407794253e-13 | 3.588240815588506e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.351350086579639e+01 | 1.332267629550188e-13 | 2.664535259100376e-01 | PASS |
| eb_fosscuda-2022a | -1.351350086579652e+01 | -1.776356839400250e-15 | -3.552713678800501e-03 | PASS |
| cmake_foss_2022a_min_mpi | -1.351350086579622e+01 | 3.019806626980426e-13 | 6.039613253960852e-01 | PASS |
| eb_foss-2022a_debug | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.351350086579652e+01 | -1.776356839400250e-15 | -3.552713678800501e-03 | PASS |
| eb_intel-2022a | -1.351350086579675e+01 | -2.309263891220326e-13 | -4.618527782440651e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.351350086579646e+01 | 6.217248937900877e-14 | 1.243449787580175e-01 | PASS |
| intel-2022b | -1.351350086579675e+01 | -2.309263891220326e-13 | -4.618527782440651e-01 | PASS |
| eb_intel-2022a_omp | -1.351350086579665e+01 | -1.261213355974178e-13 | -2.522426711948356e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.351350086579628e+01 | 2.433608869978343e-13 | 4.867217739956686e-01 | PASS |
| eb_intel-2022a_impi | -1.351350086579663e+01 | -1.136868377216160e-13 | -2.273736754432321e-01 | PASS |
| spack_foss-2022a_serial | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2022a_mpi | -1.351350086579631e+01 | 2.149391775674303e-13 | 4.298783551348606e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.351350086579663e+01 | -1.083577672034153e-13 | -2.167155344068306e-01 | PASS |
| spack_foss-2022a_serial_min | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| intel-2022b_impi | -1.351350086579663e+01 | -1.136868377216160e-13 | -2.273736754432321e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.351350086579626e+01 | 2.629008122312371e-13 | 5.258016244624741e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.351350086579628e+01 | 2.398081733190338e-13 | 4.796163466380676e-01 | PASS |
| spack_foss-2022a_mpi_omp | -1.351350086579625e+01 | 2.664535259100376e-13 | 5.329070518200751e-01 | PASS |
| eb_intel-2022a_omp_impi | -1.351350086579670e+01 | -1.811883976188255e-13 | -3.623767952376511e-01 | PASS |
| eb_foss-2022a_valgrind | -1.351350086579650e+01 | 2.309263891220326e-14 | 4.618527782440651e-02 | PASS |