Match comparison for Benzene Multipoles [step 20] (match type 24560)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 9.086271425086069e-02 | 1.000000000000000e-06 | 9.086273215006628e-02 | 7.649076620749918e-15 | 9.086273215006130e-02 | 1.158101392562116e-14 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: 0.09086271425086069, precision: 0.000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 9.086273215006796e-02 | 1.789920726913419e-08 | 1.789920726913419e-02 | PASS |
| spack_foss-2022a_cuda_serial | 9.086273215007137e-02 | 1.789921068306999e-08 | 1.789921068306999e-02 | PASS |
| spack_foss-2022a_serial | 9.086273215007276e-02 | 1.789921207084877e-08 | 1.789921207084877e-02 | PASS |
| spack_foss-2022a_mpi | 9.086273215006807e-02 | 1.789920738015649e-08 | 1.789920738015649e-02 | PASS |
| spack_foss-2022a_serial_min | 9.086273215007276e-02 | 1.789921207084877e-08 | 1.789921207084877e-02 | PASS |
| spack_foss-2022a_mpi_min | 9.086273215006807e-02 | 1.789920738015649e-08 | 1.789920738015649e-02 | PASS |
| spack_foss-2022a_mpi_opt | 9.086273215006807e-02 | 1.789920738015649e-08 | 1.789920738015649e-02 | PASS |
| spack_foss-2022a_serial_opt | 9.086273215007276e-02 | 1.789921207084877e-08 | 1.789921207084877e-02 | PASS |
| spack_foss-2022a_serial_debug | 9.086273215007276e-02 | 1.789921207084877e-08 | 1.789921207084877e-02 | PASS |
| spack_foss-2023a_serial | 9.086273215007276e-02 | 1.789921207084877e-08 | 1.789921207084877e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 9.086273215007289e-02 | 1.789921219574886e-08 | 1.789921219574886e-02 | PASS |
| spack_foss-2023a_serial_omp | 9.086273215006420e-02 | 1.789920350825369e-08 | 1.789920350825369e-02 | PASS |
| spack_foss-2022a_mpi_debug | 9.086273215006807e-02 | 1.789920738015649e-08 | 1.789920738015649e-02 | PASS |
| spack_foss-2023a_serial_min | 9.086273215007276e-02 | 1.789921207084877e-08 | 1.789921207084877e-02 | PASS |
| spack_intel-2022a_serial_omp | 9.086273215004972e-02 | 1.789918903372101e-08 | 1.789918903372101e-02 | PASS |
| spack_intel-2023a_serial | 9.086273215006077e-02 | 1.789920008044010e-08 | 1.789920008044010e-02 | PASS |
| spack_intel-2023a_serial_omp | 9.086273215004972e-02 | 1.789918903372101e-08 | 1.789918903372101e-02 | PASS |
| spack_intel-2023a_impi | 9.086273215005959e-02 | 1.789919890082814e-08 | 1.789919890082814e-02 | PASS |
| spack_intel-2022a_impi_omp | 9.086273215005417e-02 | 1.789919347461311e-08 | 1.789919347461311e-02 | PASS |