Match comparison for Hartree energy (match type 12967)
Commits >
Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 >
Input 03-sodium_chain.03-ground_state_disp.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.551473590000000e+00 | 2.280000000000000e-07 | -4.551473609230769e+00 | 1.591397019452278e-08 | -4.551473600000000e+00 | 2.000000032253979e-08 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -4.55147359, precision: 0.000000228| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2022a_serial_min | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2022a_serial | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2023a_serial | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2023b_serial | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2022a_ppc | -4.551473610000000e+00 | -2.000000076662900e-08 | -8.771930160802192e-02 | PASS |
| spack_foss-2022a_mpi_min | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.551473590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -4.551473580000000e+00 | 9.999999939225290e-09 | 4.385964885625127e-02 | PASS |
| spack_foss-2023a_mpi_opt | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2023a_mpi | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2022a_mpi | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.551473590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.551473590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.551473620000000e+00 | -3.000000070585429e-08 | -1.315789504642732e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.551473580000000e+00 | 9.999999939225290e-09 | 4.385964885625127e-02 | PASS |
| spack_intel-2022a_impi_omp | -4.551473580000000e+00 | 9.999999939225290e-09 | 4.385964885625127e-02 | PASS |
| spack_intel-2023a_serial_omp | -4.551473580000000e+00 | 9.999999939225290e-09 | 4.385964885625127e-02 | PASS |
| spack_intel-2023a_impi | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |