Match comparison for Hartree energy (match type 20887)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Input 04-ACBN0_isolated.01-H_unpacked.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.080899600000000e-01 | 1.540000000000000e-07 | 3.080900100000001e-01 | 5.551115123125783e-17 | 3.080900100000000e-01 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.30808996, precision: 0.000000154| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2022a_ppc | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2022a_mpi_min | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2022a_mpi | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2022a_serial | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2022a_serial_min | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_mpi | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_mpi_min | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_serial_min | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_serial | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_mpi_opt | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_mpi_debug | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_serial_opt | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023b_serial | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_serial_debug | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_serial_omp | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_intel-2022a_serial_omp | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_mpi_omp | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_intel-2023a_serial | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_intel-2023a_impi | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2023a_valgrind | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_intel-2023a_serial_omp | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_intel-2022a_impi_omp | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |
| spack_foss-2022a_cuda_serial | 3.080900100000000e-01 | 5.000000002919336e-08 | 3.246753248648919e-01 | PASS |