Match comparison for molecule-solvent int. energy (match type 12041)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
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 | 1.734723475976807e-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 |
| intel-serial: [intel2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-serial: [foss2023a-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 |
| intel-min-parallel: [intel2022a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| ppc: [foss2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| intel-parallel: [intel2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-parallel: [foss2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| intel-serial-debug: [intel2023a-serial] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -1.501570000000000e-02 | 1.734723475976807e-18 | 2.309884788251408e-03 | PASS |