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 | 3.988936426071852e+03 | 2.032470092515486e-05 | 3.988936413165000e+03 | 2.489500002411660e-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_ppc | 3.988936436950000e+03 | 2.372000017203391e-05 | 8.625454608012330e-01 | PASS |
| cmake_foss_2022a_full_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.988936437860000e+03 | 2.463000009811367e-05 | 8.956363672041334e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.988936438040000e+03 | 2.481000046827830e-05 | 9.021818352101201e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.988936437770000e+03 | 2.454000014040503e-05 | 8.923636414692737e-01 | PASS |
| spack_foss-2022a_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-2022a_mpi_min | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |
| spack_foss-2022a_mpi | 3.988936438020000e+03 | 2.479000022503897e-05 | 9.014545536377806e-01 | PASS |
| spack_foss-2023a_mpi | 3.988936438030000e+03 | 2.480000011928496e-05 | 9.018181861558167e-01 | PASS |
| spack_foss-2023a_mpi_min | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |
| spack_foss-2023a_mpi_debug | 3.988936438050000e+03 | 2.482000036252430e-05 | 9.025454677281562e-01 | PASS |
| spack_foss-2023a_serial | 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_cuda_serial | 3.988936437950000e+03 | 2.472000005582231e-05 | 8.989090929389931e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.988936435400000e+03 | 2.217000019300031e-05 | 8.061818252000110e-01 | PASS |
| spack_foss-2023a_serial_debug | 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-2023a_serial_omp | 3.988936438030000e+03 | 2.480000011928496e-05 | 9.018181861558167e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.988936437120000e+03 | 2.389000019320520e-05 | 8.687272797529162e-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 | 3.988936427830000e+03 | 1.460000021324959e-05 | 5.309090986636213e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.988936438060000e+03 | 2.483000025677029e-05 | 9.029091002461923e-01 | PASS |