Match comparison for Hartree energy (match type 12947)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
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 | -4.551474940588236e+00 | 2.959940150554949e-08 | -4.551474945000000e+00 | 6.500000004905360e-08 | PASS |
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Detailed information
Reference: -4.55147486, precision: 0.000000228| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -4.551474880000000e+00 | -1.999999987845058e-08 | -8.771929771250254e-02 | PASS |
| foss-serial: [foss2023a-serial] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| ppc: [foss2023a-serial] | -4.551475010000000e+00 | -1.499999999765578e-07 | -6.578947367392884e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -4.551474940000000e+00 | -8.000000040198074e-08 | -3.508771947455296e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | -4.551474880000000e+00 | -1.999999987845058e-08 | -8.771929771250254e-02 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -4.551474930000000e+00 | -7.000000046275545e-08 | -3.070175458892783e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -4.551474950000000e+00 | -9.000000034120603e-08 | -3.947368436017809e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -4.551474950000000e+00 | -9.000000034120603e-08 | -3.947368436017809e-01 | PASS |