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 | 3.988936425247037e+03 | 2.035773453316882e-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-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-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-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 |
| cmake_foss_2022a_full_mpi | 3.988936438020000e+03 | 2.479000022503897e-05 | 9.014545536377806e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.988936412180000e+03 | -1.049999809765723e-06 | -3.818181126420810e-02 | PASS |
| spack_foss-2023a_serial_debug | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| cmake_foss_2022a_full_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| spack_foss-2022a_mpi | 3.988936436370000e+03 | 2.314000039405073e-05 | 8.414545597836629e-01 | PASS |
| spack_foss-2023a_mpi | 3.988936437340000e+03 | 2.411000014035380e-05 | 8.767272778310474e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.988936437840000e+03 | 2.461000030962168e-05 | 8.949091021680612e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.988936433100000e+03 | 1.987000041481224e-05 | 7.225454696295359e-01 | PASS |
| spack_foss-2023a_mpi_debug | 3.988936436470000e+03 | 2.324000024600537e-05 | 8.450909180365587e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.988936437370000e+03 | 2.414000027783914e-05 | 8.778181919214231e-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-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_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 | 3.988936437350000e+03 | 2.412000003459980e-05 | 8.770909103490835e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.988936437870000e+03 | 2.464000044710701e-05 | 8.960000162584368e-01 | PASS |