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 | 3.988936425548462e+03 | 2.057948732068720e-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_serial_min | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-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-2023a_serial_opt | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| spack_foss-2023a_serial | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-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_mpi_min | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |
| spack_foss-2023a_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-2022a_cuda_serial | 3.988936437950000e+03 | 2.472000005582231e-05 | 8.989090929389931e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.988936438000000e+03 | 2.477000043654698e-05 | 9.007272886017084e-01 | PASS |
| spack_foss-2023a_mpi | 3.988936437990000e+03 | 2.476000008755364e-05 | 9.003636395474048e-01 | PASS |
| spack_foss-2022a_mpi | 3.988936437940000e+03 | 2.471000016157632e-05 | 8.985454604209570e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.988936437780000e+03 | 2.455000003465102e-05 | 8.927272739873098e-01 | PASS |
| spack_foss-2023a_mpi_debug | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.988936437890000e+03 | 2.466000023559900e-05 | 8.967272812945091e-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 | 3.988936429660000e+03 | 1.643000041440246e-05 | 5.974545605237257e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.988936436460000e+03 | 2.323000035175937e-05 | 8.447272855185226e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.988936438030000e+03 | 2.480000011928496e-05 | 9.018181861558167e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.988936426640000e+03 | 1.341000006505055e-05 | 4.876363660018383e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.988936436820000e+03 | 2.359000018259394e-05 | 8.578181884579614e-01 | PASS |
| spack_intel-2023a_impi | 3.988936437640000e+03 | 2.441000015096506e-05 | 8.876363691260022e-01 | PASS |