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 | 3.988936426428519e+03 | 2.043493410478812e-05 | 3.988936413160000e+03 | 2.489000007699360e-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 |
| cmake_foss_2022a_min_mpi | 3.988936436120000e+03 | 2.289000030941679e-05 | 8.323636476151560e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.988936437940000e+03 | 2.471000016157632e-05 | 8.985454604209570e-01 | PASS |
| spack_intel-2022a_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-2022a_cuda_mpi_omp | 3.988936438050000e+03 | 2.482000036252430e-05 | 9.025454677281562e-01 | PASS |
| spack_foss-2022a_mpi_min | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |
| spack_foss-2022a_serial | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2022a_mpi | 3.988936437890000e+03 | 2.466000023559900e-05 | 8.967272812945091e-01 | PASS |
| spack_foss-2022a_serial_min | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-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_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-2023a_serial_opt | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.988936437990000e+03 | 2.476000008755364e-05 | 9.003636395474048e-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_debug | 3.988936436700000e+03 | 2.347000008739997e-05 | 8.534545486327261e-01 | PASS |
| spack_foss-2023b_serial | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.988936437960000e+03 | 2.473000040481566e-05 | 8.992727419932965e-01 | PASS |
| spack_intel-2023a_serial | 3.988936431460000e+03 | 1.823000047807000e-05 | 6.629091082934544e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.988936436820000e+03 | 2.359000018259394e-05 | 8.578181884579614e-01 | PASS |
| spack_intel-2023a_impi | 3.988936438030000e+03 | 2.480000011928496e-05 | 9.018181861558167e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.988936437100000e+03 | 2.387000040471321e-05 | 8.680000147168440e-01 | PASS |