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 | 3.988936425831481e+03 | 2.020098929672741e-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-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-2023a_serial | 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_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-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_debug | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023a_serial_omp | 3.988936438030000e+03 | 2.480000011928496e-05 | 9.018181861558167e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.988936436570000e+03 | 2.334000009796000e-05 | 8.487272762894545e-01 | PASS |
| spack_foss-2022a_mpi | 3.988936428750000e+03 | 1.552000003357534e-05 | 5.643636375845579e-01 | PASS |
| spack_foss-2023a_mpi | 3.988936437650000e+03 | 2.442000004521105e-05 | 8.880000016440384e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.988936437640000e+03 | 2.441000015096506e-05 | 8.876363691260022e-01 | PASS |
| spack_foss-2022a_cuda_serial | 3.988936437950000e+03 | 2.472000005582231e-05 | 8.989090929389931e-01 | PASS |
| spack_foss-2023a_mpi_debug | 3.988936437860000e+03 | 2.463000009811367e-05 | 8.956363672041334e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.988936437990000e+03 | 2.476000008755364e-05 | 9.003636395474048e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.988936435580000e+03 | 2.235000010841759e-05 | 8.127272766697304e-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 | 3.988936431810000e+03 | 1.858000041465857e-05 | 6.756363787148570e-01 | PASS |
| spack_intel-2023a_serial | 3.988936431460000e+03 | 1.823000047807000e-05 | 6.629091082934544e-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 | 3.988936437880000e+03 | 2.465000034135301e-05 | 8.963636487764729e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |