Match comparison for Benzene Multipoles [step 20] (match type 20286)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094497332627963e-02 | 9.000000000000000e-07 | -2.094502638300026e-02 | 2.210704598970151e-07 | -2.094466684603691e-02 | 4.220651445042967e-07 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -0.020944973326279627, precision: 0.0000009| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| spack_foss-2022a_serial_min | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| foss-2022a_ppc | -2.094508891118015e-02 | -1.155849005222975e-07 | -1.284276672469973e-01 | PASS |
| spack_foss-2022a_serial_opt | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| spack_foss-2022a_serial | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| foss-2022a_opt | -2.094508891116387e-02 | -1.155848842436524e-07 | -1.284276491596138e-01 | PASS |
| intel-2022b | -2.094508891117898e-02 | -1.155848993496245e-07 | -1.284276659440272e-01 | PASS |
| intel-2022a | -2.094508891117898e-02 | -1.155848993496245e-07 | -1.284276659440272e-01 | PASS |
| spack_foss-2022a_serial_omp | -2.094508891115480e-02 | -1.155848751710487e-07 | -1.284276390789429e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.094508891117046e-02 | -1.155848908321322e-07 | -1.284276564801469e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| foss-2022a_omp | -2.094508891116918e-02 | -1.155848895553757e-07 | -1.284276550615286e-01 | PASS |
| intel-2022a_omp | -2.094508891118141e-02 | -1.155849017851762e-07 | -1.284276686501958e-01 | PASS |
| intel-2022b_impi | -2.094508891117841e-02 | -1.155848987875741e-07 | -1.284276653195267e-01 | PASS |
| intel-2022a_impi | -2.094508891117841e-02 | -1.155848987875741e-07 | -1.284276653195267e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.094424478089240e-02 | 7.285453872234171e-07 | 8.094948746926857e-01 | PASS |
| eb_fosscuda-2022a | -2.094424478089500e-02 | 7.285453846317402e-07 | 8.094948718130447e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.094508891116567e-02 | -1.155848860408260e-07 | -1.284276511564733e-01 | PASS |
| foss-2022a_mpi_omp | -2.094508891117151e-02 | -1.155848918833746e-07 | -1.284276576481940e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.094508891115661e-02 | -1.155848769821000e-07 | -1.284276410912222e-01 | PASS |
| eb_foss-2022a | -2.094508891116387e-02 | -1.155848842436524e-07 | -1.284276491596138e-01 | PASS |
| eb_foss-2022b_libxc6 | -2.094508891117012e-02 | -1.155848904921264e-07 | -1.284276561023627e-01 | PASS |
| eb_foss-2022a_debug | -2.094508891116387e-02 | -1.155848842436524e-07 | -1.284276491596138e-01 | PASS |
| intel-2022a_omp_impi | -2.094508891118119e-02 | -1.155849015666011e-07 | -1.284276684073345e-01 | PASS |
| eb_foss-2022a_mpi | -2.094508891116313e-02 | -1.155848835046602e-07 | -1.284276483385114e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.094508891115767e-02 | -1.155848780437507e-07 | -1.284276422708341e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.094508891116313e-02 | -1.155848835046602e-07 | -1.284276483385114e-01 | PASS |