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 | 3.988936425150625e+03 | 2.129772039826612e-05 | 3.988936413150000e+03 | 2.487999995537393e-05 | PASS |
Checks do not indicate problems with this match.
Loading plot...
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-2022a_serial_opt | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| spack_foss-2022a_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-2022a_serial_debug | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2022a_mpi_opt | 3.988936437880000e+03 | 2.465000034135301e-05 | 8.963636487764729e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.988936438030000e+03 | 2.480000011928496e-05 | 9.018181861558167e-01 | PASS |
| spack_foss-2022a_mpi | 3.988936436680000e+03 | 2.345000029890798e-05 | 8.527272835966538e-01 | PASS |
| spack_foss-2022a_cuda_serial | 3.988936437950000e+03 | 2.472000005582231e-05 | 8.989090929389931e-01 | PASS |
| spack_intel-2023a_impi | 3.988936436720000e+03 | 2.349000033063930e-05 | 8.541818302050656e-01 | PASS |
| spack_foss-2022a_mpi_debug | 3.988936437590000e+03 | 2.436000022498774e-05 | 8.858181899995543e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.988936436910000e+03 | 2.368000014030258e-05 | 8.610909141928211e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.988936437040000e+03 | 2.381000012974255e-05 | 8.658181865360927e-01 | PASS |