Match comparison for Energy [step 100] (match type 29346)
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.989121104550150e+00 | 4.510000000000000e-14 | -1.989121104550125e+00 | 1.624816293836556e-14 | -1.989121104550151e+00 | 4.096722960866828e-14 | PASS |
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Detailed information
Reference: -1.98912110455015, precision: 0.0000000000000451| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -1.989121104550135e+00 | 1.532107773982716e-14 | 3.397134753841943e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.989121104550133e+00 | 1.665334536937735e-14 | 3.692537775915155e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -1.989121104550133e+00 | 1.665334536937735e-14 | 3.692537775915155e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.989121104550135e+00 | 1.532107773982716e-14 | 3.397134753841943e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.989121104550133e+00 | 1.665334536937735e-14 | 3.692537775915155e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -1.989121104550133e+00 | 1.665334536937735e-14 | 3.692537775915155e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.989121104550135e+00 | 1.532107773982716e-14 | 3.397134753841943e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.989121104550133e+00 | 1.665334536937735e-14 | 3.692537775915155e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -1.989121104550133e+00 | 1.665334536937735e-14 | 3.692537775915155e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.989121104550110e+00 | 4.041211809635570e-14 | 8.960558336220776e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.989121104550111e+00 | 3.885780586188048e-14 | 8.615921477135361e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.989121104550111e+00 | 3.885780586188048e-14 | 8.615921477135361e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.989121104550134e+00 | 1.620925615952729e-14 | 3.594070101890751e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.989121104550113e+00 | 3.708144902248023e-14 | 8.222050781037745e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.989121104550110e+00 | 4.041211809635570e-14 | 8.960558336220776e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.989121104550113e+00 | 3.708144902248023e-14 | 8.222050781037745e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.989121104550133e+00 | 1.665334536937735e-14 | 3.692537775915155e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.989121104550113e+00 | 3.730349362740526e-14 | 8.271284618049947e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.989121104550117e+00 | 3.264055692397960e-14 | 7.237374040793704e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.989121104550112e+00 | 3.796962744218035e-14 | 8.418986129086553e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.989121104550113e+00 | 3.708144902248023e-14 | 8.222050781037745e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.989121104550116e+00 | 3.397282455352979e-14 | 7.532777062866916e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.989121104550192e+00 | -4.152234112098085e-14 | -9.206727521281787e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.989121104550112e+00 | 3.796962744218035e-14 | 8.418986129086553e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.989121104550112e+00 | 3.796962744218035e-14 | 8.418986129086553e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.989121104550116e+00 | 3.419486915845482e-14 | 7.582010899879118e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.989121104550136e+00 | 1.354472090042691e-14 | 3.003264057744326e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.989121104550115e+00 | 3.530509218307998e-14 | 7.828180084940128e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.989121104550113e+00 | 3.685940441755520e-14 | 8.172816944025543e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -1.989121104550143e+00 | 7.327471962526033e-15 | 1.624716621402668e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.989121104550118e+00 | 3.197442310920451e-14 | 7.089672529757097e-01 | PASS |