Match comparison for Hartree energy (match type 28412)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.128201924000000e+01 | 2.260000000000000e-07 | -1.128201941962963e+01 | 1.073754742254270e-07 | -1.128201924500000e+01 | 2.050000000863861e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -11.28201924, precision: 0.000000226| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| spack_foss-2022a_serial_min | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| foss-2022a_ppc | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| spack_foss-2022a_serial | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| foss-2022a_opt | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| intel-2022b | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| intel-2022a | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| foss-2022a_omp | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| intel-2022a_omp | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| intel-2022b_impi | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| intel-2022a_impi | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.128201904000000e+01 | 2.000000005608626e-07 | 8.849557546940825e-01 | PASS |
| eb_fosscuda-2022a | -1.128201904000000e+01 | 2.000000005608626e-07 | 8.849557546940825e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| foss-2022a_mpi_omp | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| eb_foss-2022a | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| eb_foss-2022a_debug | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| intel-2022a_omp_impi | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| eb_foss-2022a_mpi | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.128201945000000e+01 | -2.099999996119095e-07 | -9.292035381057943e-01 | PASS |