Match comparison for M-solvent int. energy @ t=21*dt (match type 12045)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 32-tdpcm_methane.02-td_prop_neq.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.502584992053000e-02 | 1.000000000000000e-04 | -1.508539158018622e-02 | 8.340672914809518e-14 | -1.508539158020837e-02 | 1.691797743563761e-13 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.01502584992053, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -1.508539158006336e-02 | -5.954165953336171e-05 | -5.954165953336171e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.508539158016004e-02 | -5.954165963003612e-05 | -5.954165963003611e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.508539158016004e-02 | -5.954165963003612e-05 | -5.954165963003611e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.508539158028088e-02 | -5.954165975087869e-05 | -5.954165975087868e-01 | PASS |
| eb_fosscuda-2022a | -1.508539158003919e-02 | -5.954165950919355e-05 | -5.954165950919355e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.508539158030505e-02 | -5.954165977504686e-05 | -5.954165977504685e-01 | PASS |
| eb_foss-2022a_debug | -1.508539158023254e-02 | -5.954165970254062e-05 | -5.954165970254062e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.508539158023254e-02 | -5.954165970254062e-05 | -5.954165970254062e-01 | PASS |
| eb_intel-2022a | -1.508539158006336e-02 | -5.954165953336171e-05 | -5.954165953336171e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.508539158016004e-02 | -5.954165963003612e-05 | -5.954165963003611e-01 | PASS |
| intel-2022b | -1.508539158006336e-02 | -5.954165953336171e-05 | -5.954165953336171e-01 | PASS |
| eb_intel-2022a_omp | -1.508539158013587e-02 | -5.954165960586622e-05 | -5.954165960586622e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.508539158025671e-02 | -5.954165972671052e-05 | -5.954165972671052e-01 | PASS |
| eb_intel-2022a_impi | -1.508539158011170e-02 | -5.954165958169805e-05 | -5.954165958169805e-01 | PASS |
| spack_foss-2022a_serial | -1.508539158023254e-02 | -5.954165970254062e-05 | -5.954165970254062e-01 | PASS |
| spack_foss-2022a_mpi | -1.508539158023254e-02 | -5.954165970254062e-05 | -5.954165970254062e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.508539158025671e-02 | -5.954165972671052e-05 | -5.954165972671052e-01 | PASS |
| spack_foss-2022a_serial_min | -1.508539158023254e-02 | -5.954165970254062e-05 | -5.954165970254062e-01 | PASS |
| intel-2022b_impi | -1.508539158011170e-02 | -5.954165958169805e-05 | -5.954165958169805e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.508539158023254e-02 | -5.954165970254062e-05 | -5.954165970254062e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.508539158020837e-02 | -5.954165967837245e-05 | -5.954165967837245e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.508539158016004e-02 | -5.954165963003612e-05 | -5.954165963003611e-01 | PASS |
| spack_foss-2022a_mpi_omp | -1.508539158037755e-02 | -5.954165984755309e-05 | -5.954165984755309e-01 | PASS |
| eb_intel-2022a_omp_impi | -1.508539158016004e-02 | -5.954165963003612e-05 | -5.954165963003611e-01 | PASS |