Match comparison for Tot. Maxwell energy [step 300] (match type 25757)
Commits >
Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.401550522265254e-06 | 1.000000000000000e-12 | 1.401550522265248e-06 | 3.410400754432616e-20 | 1.401550522265250e-06 | 5.039846036163087e-20 | PASS |
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Detailed information
Reference: 0.0000014015505222652544, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| spack_foss-2022a_serial_min | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| spack_foss-2022a_serial | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| spack_foss-2022a_serial_opt | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| spack_foss-2022a_ppc | 1.401550522265300e-06 | 4.595153738854579e-20 | 4.595153738854579e-08 | PASS |
| spack_foss-2022a_mpi_min | 1.401550522265200e-06 | -5.484538333471595e-20 | -5.484538333471595e-08 | PASS |
| spack_foss-2023a_mpi_min | 1.401550522265200e-06 | -5.484538333471595e-20 | -5.484538333471595e-08 | PASS |
| spack_foss-2022a_serial_debug | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| spack_foss-2022a_mpi_opt | 1.401550522265200e-06 | -5.484538333471595e-20 | -5.484538333471595e-08 | PASS |
| spack_intel-2022a_serial_omp | 1.401550522265250e-06 | -4.023406499457927e-21 | -4.023406499457927e-09 | PASS |
| spack_foss-2022a_mpi | 1.401550522265200e-06 | -5.484538333471595e-20 | -5.484538333471595e-08 | PASS |
| spack_foss-2022a_cuda_serial | 1.401550522265265e-06 | 1.079967007749233e-20 | 1.079967007749233e-08 | PASS |
| spack_intel-2023a_impi | 1.401550522265255e-06 | 4.235164736271502e-22 | 4.235164736271502e-10 | PASS |
| spack_foss-2022a_mpi_debug | 1.401550522265200e-06 | -5.484538333471595e-20 | -5.484538333471595e-08 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.401550522265272e-06 | 1.778769189234031e-20 | 1.778769189234031e-08 | PASS |
| spack_intel-2022a_impi_omp | 1.401550522265283e-06 | 2.901087844345979e-20 | 2.901087844345979e-08 | PASS |