Match comparison for Multipoles [step 0] (match type 29256)
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
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 | -1.377013811810525e-16 | 1.259426459096121e-16 | -8.050041037575528e-17 | 2.661610819994041e-16 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.0, precision: 0.000000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -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_foss-2023a_serial | -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-2022a_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2023b_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| spack_foss-2022a_ppc | 4.939338489044747e-17 | 4.939338489044747e-17 | 4.939338489044746e-02 | PASS |
| spack_foss-2022a_mpi_min | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2023a_mpi_min | -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_omp | -1.445346239789558e-16 | -1.445346239789558e-16 | -1.445346239789558e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.723279700096515e-16 | 1.723279700096515e-16 | 1.723279700096515e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2022a_mpi | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2023a_mpi | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.954735657792929e-16 | -2.954735657792929e-16 | -2.954735657792928e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.856606716236489e-16 | 1.856606716236489e-16 | 1.856606716236489e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.164682210741679e-16 | -1.164682210741679e-16 | -1.164682210741678e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.492858676034408e-16 | -1.492858676034408e-16 | -1.492858676034408e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.149397326408002e-16 | -1.149397326408002e-16 | -1.149397326408002e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.041944913112202e-16 | -3.041944913112202e-16 | -3.041944913112202e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.542199892844154e-16 | -1.542199892844154e-16 | -1.542199892844154e-01 | PASS |
| spack_intel-2023a_serial | -2.254574855016609e-16 | -2.254574855016609e-16 | -2.254574855016609e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.466614923751594e-16 | -3.466614923751594e-16 | -3.466614923751594e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.466614923751594e-16 | -3.466614923751594e-16 | -3.466614923751594e-01 | PASS |
| spack_intel-2023a_impi | -2.313299839266231e-16 | -2.313299839266231e-16 | -2.313299839266230e-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 |