Match comparison for Benzene Energy [step 20] (match type 20991)
Commits >
Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 >
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 | -3.744529289078131e+01 | 7.894215577272441e-14 | -3.744529289078137e+01 | 1.492139745096210e-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_serial_min | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2023a_serial_min | -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_serial | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2023a_serial_opt | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2023b_serial | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2022a_ppc | -3.744529289078136e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2022a_mpi_min | -3.744529289078125e+01 | 2.131628207280301e-13 | 2.131628207280301e-09 | PASS |
| spack_foss-2023a_mpi_min | -3.744529289078125e+01 | 2.131628207280301e-13 | 2.131628207280301e-09 | PASS |
| spack_foss-2023a_serial_omp | -3.744529289078135e+01 | 1.136868377216160e-13 | 1.136868377216160e-09 | PASS |
| spack_foss-2023a_serial_debug | -3.744529289078129e+01 | 1.705302565824240e-13 | 1.705302565824240e-09 | PASS |
| spack_foss-2023a_mpi_opt | -3.744529289078125e+01 | 2.131628207280301e-13 | 2.131628207280301e-09 | PASS |
| spack_foss-2022a_mpi | -3.744529289078125e+01 | 2.131628207280301e-13 | 2.131628207280301e-09 | PASS |
| spack_foss-2023a_mpi | -3.744529289078125e+01 | 2.131628207280301e-13 | 2.131628207280301e-09 | PASS |
| spack_foss-2022a_cuda_serial | -3.744529289078123e+01 | 2.273736754432321e-13 | 2.273736754432321e-09 | PASS |
| spack_foss-2023a_mpi_debug | -3.744529289078125e+01 | 2.131628207280301e-13 | 2.131628207280301e-09 | PASS |
| spack_foss-2023a_mpi_omp | -3.744529289078136e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744529289078122e+01 | 2.415845301584341e-13 | 2.415845301584341e-09 | PASS |
| spack_intel-2023a_serial | -3.744529289078152e+01 | -5.684341886080801e-14 | -5.684341886080801e-10 | PASS |
| spack_intel-2022a_serial_omp | -3.744529289078140e+01 | 5.684341886080801e-14 | 5.684341886080801e-10 | PASS |
| spack_intel-2023a_serial_omp | -3.744529289078140e+01 | 5.684341886080801e-14 | 5.684341886080801e-10 | PASS |
| spack_intel-2022a_impi_omp | -3.744529289078140e+01 | 5.684341886080801e-14 | 5.684341886080801e-10 | PASS |
| spack_intel-2023a_impi | -3.744529289078147e+01 | -1.421085471520200e-14 | -1.421085471520200e-10 | PASS |