Match comparison for N_electrons [step 0] (match type 24579)
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Input 04-lithium.02-absorbing_boundaries.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.000000000000000e+00 | 2.000000000000000e-07 | 3.000000000000000e+00 | 1.618686241828254e-15 | 2.999999999999998e+00 | 3.774758283725532e-15 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 3.0, precision: 0.0000002| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 3.000000000000002e+00 | 2.220446049250313e-15 | 1.110223024625157e-08 | PASS |
| cmake_foss_2022a_full_serial | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_min | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_debug | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | 3.000000000000001e+00 | 8.881784197001252e-16 | 4.440892098500626e-09 | PASS |
| spack_foss-2023a_mpi_omp | 3.000000000000001e+00 | 8.881784197001252e-16 | 4.440892098500626e-09 | PASS |
| spack_foss-2023b_serial | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | 3.000000000000001e+00 | 1.332267629550188e-15 | 6.661338147750939e-09 | PASS |
| spack_intel-2023a_serial | 2.999999999999995e+00 | -5.329070518200751e-15 | -2.664535259100376e-08 | PASS |
| spack_intel-2023a_serial_omp | 2.999999999999999e+00 | -8.881784197001252e-16 | -4.440892098500626e-09 | PASS |
| spack_intel-2023a_impi | 2.999999999999995e+00 | -5.329070518200751e-15 | -2.664535259100376e-08 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 3.000000000000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | 2.999999999999998e+00 | -1.776356839400250e-15 | -8.881784197001252e-09 | PASS |
| spack_intel-2022a_impi_omp | 3.000000000000001e+00 | 1.332267629550188e-15 | 6.661338147750939e-09 | PASS |
| spack_foss-2023a_valgrind | 3.000000000000001e+00 | 1.332267629550188e-15 | 6.661338147750939e-09 | PASS |