Match comparison for Energy [step 103] (match type 30955)
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
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 | -1.351222686779605e+01 | 8.830336157372001e-14 | -1.351222686779612e+01 | 2.096101070492296e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -13.51222686779602, precision: 0.000000000000342| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.351222686779601e+01 | 8.881784197001252e-15 | 2.597012923099781e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.351222686779604e+01 | -2.486899575160351e-14 | -7.271636184679388e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -1.351222686779592e+01 | 1.048050535246148e-13 | 3.064475249257742e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.351222686779611e+01 | -9.059419880941277e-14 | -2.648953181561777e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.351222686779611e+01 | -9.059419880941277e-14 | -2.648953181561777e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.351222686779594e+01 | 7.993605777301127e-14 | 2.337311630789803e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.351222686779598e+01 | 4.263256414560601e-14 | 1.246566203087895e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.351222686779616e+01 | -1.385558334732195e-13 | -4.051340160035659e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351222686779602e+01 | 1.776356839400250e-15 | 5.194025846199562e-03 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.351222686779598e+01 | 4.263256414560601e-14 | 1.246566203087895e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.351222686779598e+01 | 4.263256414560601e-14 | 1.246566203087895e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.351222686779598e+01 | 4.263256414560601e-14 | 1.246566203087895e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.351222686779598e+01 | 4.263256414560601e-14 | 1.246566203087895e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.351222686779598e+01 | 4.263256414560601e-14 | 1.246566203087895e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.351222686779609e+01 | -6.927791673660977e-14 | -2.025670080017830e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351222686779598e+01 | 4.263256414560601e-14 | 1.246566203087895e-01 | PASS |
| intel-serial: [intel2023a-serial] | -1.351222686779597e+01 | 4.973799150320701e-14 | 1.454327236935878e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.351222686779609e+01 | -6.927791673660977e-14 | -2.025670080017830e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.351222686779604e+01 | -2.131628207280301e-14 | -6.232831015439475e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.351222686779605e+01 | -3.019806626980426e-14 | -8.829843938539257e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.351222686779598e+01 | 4.440892098500626e-14 | 1.298506461549891e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351222686779605e+01 | -3.019806626980426e-14 | -8.829843938539257e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.351222686779605e+01 | -3.019806626980426e-14 | -8.829843938539257e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.351222686779598e+01 | 4.440892098500626e-14 | 1.298506461549891e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.351222686779610e+01 | -7.993605777301127e-14 | -2.337311630789803e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351222686779610e+01 | -7.993605777301127e-14 | -2.337311630789803e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.351222686779610e+01 | -7.993605777301127e-14 | -2.337311630789803e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351222686779610e+01 | -7.993605777301127e-14 | -2.337311630789803e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351222686779616e+01 | -1.438849039914203e-13 | -4.207160935421645e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.351222686779605e+01 | -2.664535259100376e-14 | -7.791038769299344e-02 | PASS |
| valgrind: [foss2023a-serial] | -1.351222686779605e+01 | -2.664535259100376e-14 | -7.791038769299344e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351222686779633e+01 | -3.144151605738443e-13 | -9.193425747773226e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.351222686779626e+01 | -2.398081733190338e-13 | -7.011934892369409e-01 | PASS |