Match comparison for Benzene Energy [step 20] (match type 20991)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744529289078146e+01 | 1.000000000000000e-04 | -3.744529289078133e+01 | 7.260796038036746e-14 | -3.744529289078134e+01 | 1.207922650792170e-13 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
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Detailed information
Reference: -37.44529289078146, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.744529289078136e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2022a_cuda_serial | -3.744529289078126e+01 | 1.989519660128281e-13 | 1.989519660128281e-09 | PASS |
| spack_foss-2022a_serial | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2022a_mpi | -3.744529289078127e+01 | 1.847411112976260e-13 | 1.847411112976260e-09 | PASS |
| spack_foss-2022a_serial_min | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2022a_mpi_min | -3.744529289078127e+01 | 1.847411112976260e-13 | 1.847411112976260e-09 | PASS |
| spack_foss-2022a_mpi_opt | -3.744529289078127e+01 | 1.847411112976260e-13 | 1.847411112976260e-09 | PASS |
| spack_foss-2022a_serial_opt | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2022a_serial_debug | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2023a_serial | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744529289078122e+01 | 2.415845301584341e-13 | 2.415845301584341e-09 | PASS |
| spack_foss-2023a_serial_omp | -3.744529289078130e+01 | 1.563194018672220e-13 | 1.563194018672220e-09 | PASS |
| spack_foss-2022a_mpi_debug | -3.744529289078127e+01 | 1.847411112976260e-13 | 1.847411112976260e-09 | PASS |
| spack_foss-2023a_serial_min | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_intel-2022a_serial_omp | -3.744529289078145e+01 | 1.421085471520200e-14 | 1.421085471520200e-10 | PASS |
| spack_intel-2023a_serial | -3.744529289078142e+01 | 4.263256414560601e-14 | 4.263256414560601e-10 | PASS |
| spack_intel-2023a_serial_omp | -3.744529289078145e+01 | 1.421085471520200e-14 | 1.421085471520200e-10 | PASS |
| spack_intel-2023a_impi | -3.744529289078146e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | -3.744529289078142e+01 | 4.263256414560601e-14 | 4.263256414560601e-10 | PASS |