Match comparison for Tot. Maxwell energy [step 300] (match type 25757)
Commits >
Commit cbc1abc06e6e7cc5a3148786399a656e257098a6 >
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 | 2.505693317809522e-06 | 3.903734290638128e-06 | 8.854514392189070e-06 | 7.452963869923870e-06 | FAIL |
Checks for this match
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Detailed information
Reference: 0.0000014015505222652544, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 1.401550522265300e-06 | 4.595153738854579e-20 | 4.595153738854579e-08 | PASS |
| cmake_foss_2022a_full_serial | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| cmake_foss_2022a_min_serial | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| cmake_foss_2022a_min_mpi | 1.401550522265262e-06 | 7.623296525288703e-21 | 7.623296525288703e-09 | PASS |
| cmake_foss_2022a_full_mpi | 1.401550522265200e-06 | -5.484538333471595e-20 | -5.484538333471595e-08 | PASS |
| spack_foss-2022a_serial | 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_mpi_min | 1.401550522265200e-06 | -5.484538333471595e-20 | -5.484538333471595e-08 | PASS |
| spack_foss-2022a_mpi | 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-2023a_mpi | 1.401550522265200e-06 | -5.484538333471595e-20 | -5.484538333471595e-08 | PASS |
| spack_foss-2023a_serial | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| spack_foss-2023a_mpi_debug | 1.401550522265200e-06 | -5.484538333471595e-20 | -5.484538333471595e-08 | PASS |
| spack_foss-2023a_serial_min | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| spack_foss-2023a_mpi_opt | 1.401550522265200e-06 | -5.484538333471595e-20 | -5.484538333471595e-08 | PASS |
| spack_foss-2023a_serial_opt | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| spack_foss-2023b_serial | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| spack_foss-2023a_serial_debug | 1.401550522265268e-06 | 1.334076891925523e-20 | 1.334076891925523e-08 | PASS |
| spack_foss-2022a_cuda_serial | 1.630747826211288e-05 | 1.490592773984762e-05 | 1.490592773984762e+07 | FAIL |
| spack_foss-2023a_serial_omp | 1.401550522265269e-06 | 1.439956010332311e-20 | 1.439956010332311e-08 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.630747826211294e-05 | 1.490592773984768e-05 | 1.490592773984768e+07 | FAIL |
| spack_foss-2023a_mpi_omp | 1.401550522265325e-06 | 7.093900933254765e-20 | 7.093900933254765e-08 | PASS |
| spack_intel-2022a_serial_omp | 1.401550522265250e-06 | -4.023406499457927e-21 | -4.023406499457927e-09 | PASS |
| spack_intel-2023a_serial | 1.401550522265282e-06 | 2.731681254895119e-20 | 2.731681254895119e-08 | PASS |
| spack_intel-2023a_serial_omp | 1.401550522265250e-06 | -4.023406499457927e-21 | -4.023406499457927e-09 | PASS |
| spack_intel-2023a_impi | 1.401550522265255e-06 | 4.235164736271502e-22 | 4.235164736271502e-10 | PASS |
| spack_intel-2022a_impi_omp | 1.401550522265283e-06 | 2.901087844345979e-20 | 2.901087844345979e-08 | PASS |