Match comparison for molecule-solvent int. energy (match type 12041)
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Input 32-tdpcm_methane.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.501570000000000e-02 | 7.510000000000000e-16 | -1.501570000000000e-02 | 3.469446951953614e-18 | -1.501570000000000e-02 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -0.015015700000000002, precision: 0.000000000000000751| Run | Value | Difference | Relative difference | Status |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_min_autotools: [foss2022a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_autotools: [foss2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_autotools: [foss2022a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| intel_autotools: [intel2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_autotools: [foss2023b-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |