Match comparison for M-solvent int. energy @ t=21*dt (match type 12047)
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Input 32-tdpcm_methane.03-td_prop_eom.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.502587164251000e-02 | 1.000000000000000e-04 | -1.508541481001693e-02 | 6.889063727714852e-14 | -1.508541480999276e-02 | 9.667353723097349e-14 | PASS |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.01502587164251, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -1.508541481006526e-02 | -5.954316755526524e-05 | -5.954316755526524e-01 | PASS |
| spack_foss-2023a_serial_min | -1.508541481006526e-02 | -5.954316755526524e-05 | -5.954316755526524e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.508541480994442e-02 | -5.954316743442267e-05 | -5.954316743442267e-01 | PASS |
| spack_foss-2022a_serial | -1.508541481006526e-02 | -5.954316755526524e-05 | -5.954316755526524e-01 | PASS |
| spack_foss-2022a_ppc | -1.508541480996859e-02 | -5.954316745859084e-05 | -5.954316745859084e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.508541481006526e-02 | -5.954316755526524e-05 | -5.954316755526524e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.508541481006526e-02 | -5.954316755526524e-05 | -5.954316755526524e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.508541481006526e-02 | -5.954316755526524e-05 | -5.954316755526524e-01 | PASS |
| spack_foss-2022a_mpi_opt | -1.508541481001693e-02 | -5.954316750692891e-05 | -5.954316750692891e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.508541480989609e-02 | -5.954316738608634e-05 | -5.954316738608634e-01 | PASS |
| spack_foss-2022a_mpi | -1.508541481006526e-02 | -5.954316755526524e-05 | -5.954316755526524e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.508541481008943e-02 | -5.954316757943341e-05 | -5.954316757943341e-01 | PASS |
| spack_intel-2023a_impi | -1.508541481004110e-02 | -5.954316753109708e-05 | -5.954316753109707e-01 | PASS |
| spack_foss-2022a_mpi_debug | -1.508541481006526e-02 | -5.954316755526524e-05 | -5.954316755526524e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.508541480989609e-02 | -5.954316738608634e-05 | -5.954316738608634e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.508541480989609e-02 | -5.954316738608634e-05 | -5.954316738608634e-01 | PASS |