Match comparison for Multipoles [step 0] (match type 29256)
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 1.000000000000000e-15 | -1.368906712852342e-16 | 1.281390907061967e-16 | -6.644390093576951e-17 | 2.802175914393899e-16 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 0.0, precision: 0.000000000000001| Run | Value | Difference | Relative difference | Status |
| spack_intel-2023a_impi | -2.313299839266231e-16 | -2.313299839266231e-16 | -2.313299839266230e-01 | PASS |
| spack_foss-2022a_ppc | 4.939338489044747e-17 | 4.939338489044747e-17 | 4.939338489044746e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.041944913112202e-16 | -3.041944913112202e-16 | -3.041944913112202e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.954735657792929e-16 | -2.954735657792929e-16 | -2.954735657792928e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.542199892844154e-16 | -1.542199892844154e-16 | -1.542199892844154e-01 | PASS |
| spack_foss-2022a_mpi | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2022a_serial_min | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2022a_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.137736905036204e-16 | 2.137736905036204e-16 | 2.137736905036204e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2023a_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023a_serial_min | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.466614923751594e-16 | -3.466614923751594e-16 | -3.466614923751594e-01 | PASS |
| spack_foss-2023a_mpi | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.445346239789558e-16 | -1.445346239789558e-16 | -1.445346239789558e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2023b_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.492858676034408e-16 | -1.492858676034408e-16 | -1.492858676034408e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.466614923751594e-16 | -3.466614923751594e-16 | -3.466614923751594e-01 | PASS |
| spack_intel-2023a_serial | -2.254574855016609e-16 | -2.254574855016609e-16 | -2.254574855016609e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.459622527474050e-16 | -3.459622527474050e-16 | -3.459622527474050e-01 | PASS |
| spack_foss-2023a_valgrind | -1.009122671384776e-16 | -1.009122671384776e-16 | -1.009122671384776e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.669148282125932e-16 | 1.669148282125932e-16 | 1.669148282125932e-01 | PASS |