Match comparison for Hartree energy (match type 12947)
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Input 03-sodium_chain.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.551474860000000e+00 | 2.280000000000000e-07 | -4.551474940000001e+00 | 1.924500885602656e-08 | -4.551474970000000e+00 | 3.999999975690116e-08 | PASS |
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Detailed information
Reference: -4.55147486, precision: 0.000000228| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -4.551474970000000e+00 | -1.100000002196566e-07 | -4.824561413142834e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -4.551475010000000e+00 | -1.499999999765578e-07 | -6.578947367392884e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -4.551474970000000e+00 | -1.100000002196566e-07 | -4.824561413142834e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -4.551474950000000e+00 | -9.000000034120603e-08 | -3.947368436017809e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |