Match comparison for Hartree energy (match type 30102)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.643667351000000e+01 | 9.860000000000000e-06 | 4.643667376777778e+01 | 3.273552078275236e-06 | 4.643667425000000e+01 | 6.739999999894053e-06 | PASS |
Checks for this match
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Detailed information
Reference: 46.43667351, precision: 0.00000986| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 4.643667407000000e+01 | 5.600000037020436e-07 | 5.679513222130259e-02 | PASS |
| spack_foss-2023a_serial_opt | 4.643666978000000e+01 | -3.729999995982780e-06 | -3.782961456371988e-01 | PASS |
| spack_foss-2023a_serial | 4.643666978000000e+01 | -3.729999995982780e-06 | -3.782961456371988e-01 | PASS |
| spack_foss-2023a_serial_min | 4.643666978000000e+01 | -3.729999995982780e-06 | -3.782961456371988e-01 | PASS |
| spack_foss-2023b_serial | 4.643666978000000e+01 | -3.729999995982780e-06 | -3.782961456371988e-01 | PASS |
| spack_foss-2022a_serial | 4.643667407000000e+01 | 5.600000037020436e-07 | 5.679513222130259e-02 | PASS |
| spack_foss-2022a_mpi_min | 4.643667486000000e+01 | 1.349999998012663e-06 | 1.369168354982417e-01 | PASS |
| spack_foss-2022a_ppc | 4.643667196000000e+01 | -1.550000000349883e-06 | -1.572008113945114e-01 | PASS |
| spack_foss-2023a_mpi_min | 4.643667759000000e+01 | 4.080000003625628e-06 | 4.137931038159866e-01 | PASS |
| spack_foss-2023a_serial_omp | 4.643666887000000e+01 | -4.640000000222244e-06 | -4.705882353166576e-01 | PASS |
| spack_foss-2022a_mpi | 4.643667486000000e+01 | 1.349999998012663e-06 | 1.369168354982417e-01 | PASS |
| spack_foss-2023a_mpi | 4.643667759000000e+01 | 4.080000003625628e-06 | 4.137931038159866e-01 | PASS |
| spack_foss-2023a_serial_debug | 4.643666978000000e+01 | -3.729999995982780e-06 | -3.782961456371988e-01 | PASS |
| spack_foss-2023a_mpi_debug | 4.643667759000000e+01 | 4.080000003625628e-06 | 4.137931038159866e-01 | PASS |
| spack_foss-2023a_mpi_omp | 4.643666751000000e+01 | -5.999999999062311e-06 | -6.085192696817759e-01 | PASS |
| cmake_foss_2022a_full_serial | 4.643667407000000e+01 | 5.600000037020436e-07 | 5.679513222130259e-02 | PASS |
| cmake_foss_2022a_min_serial | 4.643667407000000e+01 | 5.600000037020436e-07 | 5.679513222130259e-02 | PASS |
| cmake_foss_2022a_min_mpi | 4.643667486000000e+01 | 1.349999998012663e-06 | 1.369168354982417e-01 | PASS |
| cmake_foss_2022a_full_mpi | 4.643667486000000e+01 | 1.349999998012663e-06 | 1.369168354982417e-01 | PASS |
| spack_intel-2023a_serial | 4.643668099000000e+01 | 7.480000000725795e-06 | 7.586206897287824e-01 | PASS |
| spack_intel-2022a_impi_omp | 4.643667595000000e+01 | 2.440000002934539e-06 | 2.474645033402169e-01 | PASS |
| spack_intel-2022a_serial_omp | 4.643667033000000e+01 | -3.180000000213568e-06 | -3.225152130034044e-01 | PASS |
| spack_intel-2023a_serial_omp | 4.643667530000000e+01 | 1.789999998891290e-06 | 1.815415820376561e-01 | PASS |
| spack_intel-2023a_impi | 4.643667429000000e+01 | 7.800000005886432e-07 | 7.910750513069403e-02 | PASS |
| spack_foss-2023a_mpi_opt | 4.643667759000000e+01 | 4.080000003625628e-06 | 4.137931038159866e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 4.643667623000000e+01 | 2.720000004785561e-06 | 2.758620694508682e-01 | PASS |
| spack_foss-2022a_cuda_serial | 4.643667532000000e+01 | 1.810000000546097e-06 | 1.835699797714094e-01 | PASS |