Match comparison for electrons-solvent int. energy (match type 25496)
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.704767199000000e+01 | 1.350000000000000e-07 | -2.704767199000000e+01 | 3.552713678800501e-15 | -2.704767199000000e+01 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -27.047671989999998, precision: 0.000000135| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023a_serial_min | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023a_serial_opt | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023a_serial | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023b_serial | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2022a_ppc | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023a_mpi_min | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023a_serial_debug | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_intel-2022a_serial_omp | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023a_serial_omp | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023a_mpi_opt | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| cmake_foss_2022a_full_mpi | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023a_mpi | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_intel-2023a_impi | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023a_mpi_debug | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2023a_mpi_omp | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| cmake_foss_2022a_min_serial | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| cmake_foss_2022a_full_serial | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| cmake_foss_2022a_min_mpi | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2022a_serial | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2022a_mpi_min | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_intel-2022a_impi_omp | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_intel-2023a_serial | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2022a_mpi | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_intel-2023a_serial_omp | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |
| spack_foss-2022a_cuda_serial | -2.704767199000000e+01 | -3.552713678800501e-15 | -2.631639762074445e-08 | PASS |