Match comparison for nuclei-solvent int. energy (match type 12040)
Commits >
Commit a52301560213e3c8fdab44f55dc98126fab73840 >
Input 32-tdpcm_methane.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.372991100000000e-01 | 1.190000000000000e-07 | -2.372991100000000e-01 | 2.775557561562891e-17 | -2.372991100000000e-01 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.23729911, precision: 0.000000119| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_ppc | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_min | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_debug | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | -2.372991100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |