Match comparison for Hartree energy (match type 3414)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.955485500000000e-01 | 3.000000000000000e-05 | 2.955576885714286e-01 | 2.575393768262621e-07 | 2.955572600000000e-01 | 5.000000000143778e-07 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.29554855, precision: 0.00003| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_serial_opt | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_serial | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_serial_min | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023b_serial | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2022a_serial | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2022a_ppc | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_mpi_min | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_serial_omp | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2022a_mpi | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_mpi | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_serial_debug | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_mpi_debug | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_mpi_omp | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| cmake_foss_2022a_full_serial | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_intel-2023a_serial | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_intel-2022a_impi_omp | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_intel-2023a_impi | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2023a_valgrind | 2.955577600000000e-01 | 9.209999999981733e-06 | 3.069999999993911e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.955567600000000e-01 | 8.209999999952977e-06 | 2.736666666650993e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.955567600000000e-01 | 8.209999999952977e-06 | 2.736666666650993e-01 | PASS |