Match comparison for nuclei-solvent int. energy (match type 25497)
Commits >
Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.383747560000000e+01 | 1.190000000000000e-06 | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.383747560000000e+01 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: 23.837475599999998, precision: 0.00000119| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2022a_serial_min | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2022a_serial | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2023a_serial_opt | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2023a_serial | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2023b_serial | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2022a_ppc | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2022a_mpi_min | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2023a_mpi_min | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2023a_serial_debug | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2023a_serial_omp | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2022a_cuda_serial | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2023a_mpi_opt | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2023a_mpi | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2022a_mpi | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2023a_mpi_debug | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_foss-2023a_mpi_omp | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| cmake_foss_2022a_min_serial | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| cmake_foss_2022a_full_serial | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| cmake_foss_2022a_min_mpi | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| cmake_foss_2022a_full_mpi | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_intel-2022a_serial_omp | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_intel-2022a_impi_omp | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_intel-2023a_serial_omp | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |
| spack_intel-2023a_impi | 2.383747560000000e+01 | 3.552713678800501e-15 | 2.985473679664287e-09 | PASS |