Match comparison for M-solvent int. energy @ t=0 (match type 12044)
Commits >
Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 >
Input 32-tdpcm_methane.02-td_prop_neq.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.495587719231000e-02 | 1.000000000000000e-04 | -1.501578001376073e-02 | 8.057199947920638e-14 | -1.501578001374104e-02 | 1.450116068890672e-13 | PASS |
Checks for this match
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Detailed information
Reference: -0.01495587719231, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -1.501578001383771e-02 | -5.990282152770927e-05 | -5.990282152770927e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.501578001376520e-02 | -5.990282145520304e-05 | -5.990282145520304e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.501578001383771e-02 | -5.990282152770927e-05 | -5.990282152770927e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.501578001383771e-02 | -5.990282152770927e-05 | -5.990282152770927e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.501578001381354e-02 | -5.990282150353937e-05 | -5.990282150353937e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.501578001369270e-02 | -5.990282138269680e-05 | -5.990282138269679e-01 | PASS |
| spack_intel-2023a_serial | -1.501578001364436e-02 | -5.990282133436046e-05 | -5.990282133436046e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.501578001359602e-02 | -5.990282128602240e-05 | -5.990282128602239e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.501578001366853e-02 | -5.990282135852863e-05 | -5.990282135852862e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.501578001366853e-02 | -5.990282135852863e-05 | -5.990282135852862e-01 | PASS |
| spack_intel-2023a_impi | -1.501578001362019e-02 | -5.990282131019230e-05 | -5.990282131019229e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.501578001369270e-02 | -5.990282138269680e-05 | -5.990282138269679e-01 | PASS |
| spack_foss-2022a_serial_min | -1.501578001378937e-02 | -5.990282147937120e-05 | -5.990282147937120e-01 | PASS |
| spack_foss-2023a_serial_min | -1.501578001378937e-02 | -5.990282147937120e-05 | -5.990282147937120e-01 | PASS |
| spack_foss-2022a_serial | -1.501578001378937e-02 | -5.990282147937120e-05 | -5.990282147937120e-01 | PASS |
| spack_foss-2023a_serial | -1.501578001378937e-02 | -5.990282147937120e-05 | -5.990282147937120e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.501578001383771e-02 | -5.990282152770927e-05 | -5.990282152770927e-01 | PASS |
| spack_foss-2023b_serial | -1.501578001378937e-02 | -5.990282147937120e-05 | -5.990282147937120e-01 | PASS |
| spack_foss-2022a_ppc | -1.501578001369270e-02 | -5.990282138269680e-05 | -5.990282138269679e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.501578001366853e-02 | -5.990282135852863e-05 | -5.990282135852862e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.501578001383771e-02 | -5.990282152770927e-05 | -5.990282152770927e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.501578001383771e-02 | -5.990282152770927e-05 | -5.990282152770927e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.501578001388605e-02 | -5.990282157604561e-05 | -5.990282157604561e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.501578001378937e-02 | -5.990282147937120e-05 | -5.990282147937120e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.501578001369270e-02 | -5.990282138269680e-05 | -5.990282138269679e-01 | PASS |
| spack_foss-2022a_mpi | -1.501578001383771e-02 | -5.990282152770927e-05 | -5.990282152770927e-01 | PASS |
| spack_foss-2023a_mpi | -1.501578001383771e-02 | -5.990282152770927e-05 | -5.990282152770927e-01 | PASS |