Match comparison for Benzene Multipoles [step 20] (match type 25755)
Commits >
Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 >
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 | -2.094351791077573e-02 | 7.337309778454713e-15 | -2.094351791077920e-02 | 1.447973685397841e-14 | PASS |
Checks for this match
-
Intel® builders have different values.
Loading plot...
Detailed information
Reference: -0.02094351791077764, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| spack_foss-2023a_serial_min | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| spack_foss-2023a_serial | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| spack_foss-2022a_serial | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| spack_foss-2023a_serial_opt | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| spack_foss-2023b_serial | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| spack_foss-2022a_ppc | -2.094351791077580e-02 | 1.842276331487369e-15 | 1.842276331487369e-03 | PASS |
| spack_foss-2022a_mpi_min | -2.094351791077443e-02 | 3.205768983605140e-15 | 3.205768983605140e-03 | PASS |
| spack_foss-2023a_mpi_min | -2.094351791077443e-02 | 3.205768983605140e-15 | 3.205768983605140e-03 | PASS |
| spack_foss-2023a_serial_omp | -2.094351791077704e-02 | 6.002143226879753e-16 | 6.002143226879753e-04 | PASS |
| spack_foss-2023a_serial_debug | -2.094351791077044e-02 | 7.199102425303749e-15 | 7.199102425303749e-03 | PASS |
| spack_foss-2023a_mpi_opt | -2.094351791077443e-02 | 3.205768983605140e-15 | 3.205768983605140e-03 | PASS |
| spack_foss-2022a_mpi | -2.094351791077443e-02 | 3.205768983605140e-15 | 3.205768983605140e-03 | PASS |
| spack_foss-2023a_mpi | -2.094351791077443e-02 | 3.205768983605140e-15 | 3.205768983605140e-03 | PASS |
| spack_foss-2022a_cuda_serial | -2.094351791077379e-02 | 3.847616669716558e-15 | 3.847616669716558e-03 | PASS |
| spack_foss-2023a_mpi_debug | -2.094351791077443e-02 | 3.205768983605140e-15 | 3.205768983605140e-03 | PASS |
| spack_foss-2023a_mpi_omp | -2.094351791076472e-02 | 1.292368989602721e-14 | 1.292368989602721e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.094351791077033e-02 | 7.313594174718219e-15 | 7.313594174718219e-03 | PASS |
| spack_intel-2023a_serial | -2.094351791078311e-02 | -5.471317843230850e-15 | -5.471317843230850e-03 | PASS |
| spack_intel-2022a_serial_omp | -2.094351791079367e-02 | -1.603578381192960e-14 | -1.603578381192960e-02 | PASS |
| spack_intel-2023a_serial_omp | -2.094351791079367e-02 | -1.603578381192960e-14 | -1.603578381192960e-02 | PASS |
| spack_intel-2022a_impi_omp | -2.094351791078668e-02 | -9.037909309839165e-15 | -9.037909309839165e-03 | PASS |
| spack_intel-2023a_impi | -2.094351791078334e-02 | -5.700301342059788e-15 | -5.700301342059788e-03 | PASS |