Match comparison for Benzene Multipoles [step 20] (match type 25755)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094351791077764e-02 | 1.000000000000000e-12 | -2.094351791077400e-02 | 7.632138411347032e-15 | -2.094351791077186e-02 | 1.347186251443588e-14 | PASS |
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Detailed information
Reference: -0.02094351791077764, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| spack_foss-2022a_serial_min | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| foss-2022a_ppc | -2.094351791078533e-02 | -7.688294445529209e-15 | -7.688294445529209e-03 | PASS |
| spack_foss-2022a_serial_opt | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| spack_foss-2022a_serial | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| foss-2022a_opt | -2.094351791076934e-02 | 8.302386556024999e-15 | 8.302386556024999e-03 | PASS |
| intel-2022b | -2.094351791078445e-02 | -6.813993813636898e-15 | -6.813993813636898e-03 | PASS |
| intel-2022a | -2.094351791078445e-02 | -6.813993813636898e-15 | -6.813993813636898e-03 | PASS |
| spack_foss-2022a_serial_omp | -2.094351791075838e-02 | 1.925543058334256e-14 | 1.925543058334256e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.094351791077443e-02 | 3.205768983605140e-15 | 3.205768983605140e-03 | PASS |
| spack_foss-2022a_serial_debug | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| foss-2022a_omp | -2.094351791077275e-02 | 4.891920202254596e-15 | 4.891920202254596e-03 | PASS |
| intel-2022a_omp | -2.094351791078514e-02 | -7.500944310123714e-15 | -7.500944310123714e-03 | PASS |
| intel-2022b_impi | -2.094351791078455e-02 | -6.914607775243553e-15 | -6.914607775243553e-03 | PASS |
| intel-2022a_impi | -2.094351791078455e-02 | -6.914607775243553e-15 | -6.914607775243553e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.094351791077486e-02 | 2.782496455466799e-15 | 2.782496455466799e-03 | PASS |
| eb_fosscuda-2022a | -2.094351791077943e-02 | -1.790234627208065e-15 | -1.790234627208065e-03 | PASS |
| cmake_foss_2022a_min_serial | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| foss-2022a_mpi_omp | -2.094351791077627e-02 | 1.370431546021678e-15 | 1.370431546021678e-03 | PASS |
| cmake_foss_2022a_min_mpi | -2.094351791076211e-02 | 1.552577510999242e-14 | 1.552577510999242e-02 | PASS |
| eb_foss-2022a | -2.094351791076934e-02 | 8.302386556024999e-15 | 8.302386556024999e-03 | PASS |
| eb_foss-2022b_libxc6 | -2.094351791077553e-02 | 2.105954299835844e-15 | 2.105954299835844e-03 | PASS |
| eb_foss-2022a_debug | -2.094351791076934e-02 | 8.302386556024999e-15 | 8.302386556024999e-03 | PASS |
| intel-2022a_omp_impi | -2.094351791078529e-02 | -7.646661082105766e-15 | -7.646661082105766e-03 | PASS |
| eb_foss-2022a_mpi | -2.094351791076842e-02 | 9.214851104388799e-15 | 9.214851104388799e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.094351791076288e-02 | 1.475555788665872e-14 | 1.475555788665872e-02 | PASS |
| eb_foss-2022a_mpi_debug | -2.094351791076842e-02 | 9.214851104388799e-15 | 9.214851104388799e-03 | PASS |