Match comparison for molecule-solvent int. energy (match type 12041)
Commits >
Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 >
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 | 0.000000000000000e+00 | -1.501570000000000e-02 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.015015700000000002, precision: 0.000000000000000751| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-serial-min: [foss2023a-serial] | -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_cmake: [foss2022a-serial, foss-full] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-serial-min: [foss2022a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-serial-min: [foss2023b-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-serial-full: [foss2023b-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-opt-full: [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-serial-full: [foss2023a-serial] | -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 |
| intel_omp_autotools: [intel2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-serial-debug: [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 |
| intel_omp_autotools: [intel2022a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-omp-full: [foss2023a-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_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-full: [foss2023a-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-min: [foss2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-mpi-min: [foss2022a-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 |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -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 |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |