Match comparison for Energy [step 0] (match type 31022)
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.351259613523188e+01 | 2.520000000000000e-13 | -1.351259613523192e+01 | 4.453577623085491e-14 | -1.351259613523196e+01 | 1.127986593019159e-13 | PASS |
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Detailed information
Reference: -13.512596135231881, precision: 0.000000000000252| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.351259613523196e+01 | -7.460698725481052e-14 | -2.960594732333751e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.351259613523199e+01 | -1.065814103640150e-13 | -4.229421046191073e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -1.351259613523190e+01 | -2.309263891220326e-14 | -9.163745600080658e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.351259613523192e+01 | -3.907985046680551e-14 | -1.550787716936727e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.351259613523201e+01 | -1.243449787580175e-13 | -4.934324553889585e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -1.351259613523190e+01 | -2.309263891220326e-14 | -9.163745600080658e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.351259613523190e+01 | -2.309263891220326e-14 | -9.163745600080658e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.351259613523192e+01 | -3.907985046680551e-14 | -1.550787716936727e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.351259613523192e+01 | -3.907985046680551e-14 | -1.550787716936727e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.351259613523190e+01 | -2.309263891220326e-14 | -9.163745600080658e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | -1.351259613523190e+01 | -2.309263891220326e-14 | -9.163745600080658e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -1.351259613523190e+01 | -2.309263891220326e-14 | -9.163745600080658e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.351259613523190e+01 | -2.309263891220326e-14 | -9.163745600080658e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -1.351259613523185e+01 | 3.197442310920451e-14 | 1.268826313857322e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.351259613523190e+01 | -2.309263891220326e-14 | -9.163745600080658e-02 | PASS |
| intel-serial: [intel2023a-serial] | -1.351259613523188e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.351259613523185e+01 | 3.197442310920451e-14 | 1.268826313857322e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.351259613523191e+01 | -3.375077994860476e-14 | -1.339316664627173e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -1.351259613523187e+01 | 1.065814103640150e-14 | 4.229421046191073e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -1.351259613523189e+01 | -7.105427357601002e-15 | -2.819614030794048e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.351259613523188e+01 | -3.552713678800501e-15 | -1.409807015397024e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.351259613523189e+01 | -7.105427357601002e-15 | -2.819614030794048e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.351259613523189e+01 | -7.105427357601002e-15 | -2.819614030794048e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -1.351259613523195e+01 | -7.283063041541027e-14 | -2.890104381563900e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.351259613523188e+01 | -3.552713678800501e-15 | -1.409807015397024e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.351259613523195e+01 | -7.283063041541027e-14 | -2.890104381563900e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -1.351259613523195e+01 | -7.283063041541027e-14 | -2.890104381563900e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.351259613523195e+01 | -7.283063041541027e-14 | -2.890104381563900e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -1.351259613523190e+01 | -1.421085471520200e-14 | -5.639228061588097e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.351259613523192e+01 | -3.907985046680551e-14 | -1.550787716936727e-01 | PASS |
| valgrind: [foss2023a-serial] | -1.351259613523190e+01 | -1.776356839400250e-14 | -7.049035076985122e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.351259613523207e+01 | -1.936228954946273e-13 | -7.683448233913782e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -1.351259613523188e+01 | 1.776356839400250e-15 | 7.049035076985121e-03 | PASS |