Match comparison for Hartree energy (match type 26097)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.988936413230000e+03 | 2.750000000000000e-05 | 3.988936426283334e+03 | 2.036491758413042e-05 | 3.988936413150000e+03 | 2.487999995537393e-05 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 3988.9364132299997, precision: 0.0000275| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | 3.988936437740000e+03 | 2.451000045766705e-05 | 8.912727439151653e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.988936437170000e+03 | 2.394000011918251e-05 | 8.705454588793641e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| cmake_foss_2022a_full_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.988936437930000e+03 | 2.470000026733032e-05 | 8.981818279029209e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.988936434010000e+03 | 2.078000034089200e-05 | 7.556363760324364e-01 | PASS |
| spack_intel-2023a_serial | 3.988936431460000e+03 | 1.823000047807000e-05 | 6.629091082934544e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.988936436730000e+03 | 2.350000022488530e-05 | 8.545454627231017e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.988936438030000e+03 | 2.480000011928496e-05 | 9.018181861558167e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.988936436820000e+03 | 2.359000018259394e-05 | 8.578181884579614e-01 | PASS |
| spack_intel-2023a_impi | 3.988936438010000e+03 | 2.478000033079297e-05 | 9.010909211197444e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.988936438010000e+03 | 2.478000033079297e-05 | 9.010909211197444e-01 | PASS |
| spack_foss-2022a_serial_min | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023a_serial_min | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2022a_serial | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023a_serial | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023a_serial_opt | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| spack_foss-2023b_serial | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2022a_ppc | 3.988936436950000e+03 | 2.372000017203391e-05 | 8.625454608012330e-01 | PASS |
| spack_foss-2022a_cuda_serial | 3.988936437950000e+03 | 2.472000005582231e-05 | 8.989090929389931e-01 | PASS |
| spack_foss-2023a_mpi_min | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |
| spack_foss-2022a_mpi_min | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |
| spack_foss-2023a_serial_omp | 3.988936438030000e+03 | 2.480000011928496e-05 | 9.018181861558167e-01 | PASS |
| spack_foss-2023a_serial_debug | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.988936436670000e+03 | 2.344000040466199e-05 | 8.523636510786177e-01 | PASS |
| spack_foss-2022a_mpi | 3.988936437610000e+03 | 2.438000046822708e-05 | 8.865454715718938e-01 | PASS |
| spack_foss-2023a_mpi | 3.988936438010000e+03 | 2.478000033079297e-05 | 9.010909211197444e-01 | PASS |