Match comparison for Multipoles [step 0] (match type 29347)
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.218847493575595e-15 | 1.000000000000000e-04 | 7.204471379936023e-16 | 3.199079057771220e-15 | 8.894423677360785e-16 | 5.095541866641003e-15 | PASS |
Checks for this match
- Precision seems large and value close to zero. Should value be 0?
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Detailed information
Reference: 0.000000000000004218847493575595, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| spack_foss-2023a_serial_min | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| spack_foss-2022a_serial_opt | -2.496123305182955e-15 | -6.714970798758550e-15 | -6.714970798758550e-11 | PASS |
| spack_foss-2022a_serial | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| spack_foss-2022a_ppc | -2.046101379849445e-15 | -6.264948873425040e-15 | -6.264948873425040e-11 | PASS |
| spack_foss-2022a_mpi_min | -2.164934898019055e-15 | -6.383782391594650e-15 | -6.383782391594650e-11 | PASS |
| spack_foss-2023a_mpi_min | -2.164934898019055e-15 | -6.383782391594650e-15 | -6.383782391594650e-11 | PASS |
| spack_foss-2022a_serial_debug | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| spack_foss-2022a_mpi_opt | 2.192690473634684e-15 | -2.026157019940911e-15 | -2.026157019940911e-11 | PASS |
| spack_intel-2022a_serial_omp | 1.333963468408426e-16 | -4.085451146734752e-15 | -4.085451146734752e-11 | PASS |
| spack_foss-2022a_mpi | -2.164934898019055e-15 | -6.383782391594650e-15 | -6.383782391594650e-11 | PASS |
| spack_foss-2022a_cuda_serial | -4.206099498904925e-15 | -8.424946992480521e-15 | -8.424946992480520e-11 | PASS |
| spack_intel-2023a_impi | 3.247402347028583e-15 | -9.714451465470120e-16 | -9.714451465470120e-12 | PASS |
| spack_foss-2022a_mpi_debug | -2.164934898019055e-15 | -6.383782391594650e-15 | -6.383782391594650e-11 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.192690473634684e-15 | -2.026157019940911e-15 | -2.026157019940911e-11 | PASS |
| spack_intel-2022a_impi_omp | -1.665334536937735e-15 | -5.884182030513330e-15 | -5.884182030513330e-11 | PASS |
| spack_foss-2022a_valgrind | 5.984984234377082e-15 | 1.766136740801487e-15 | 1.766136740801487e-11 | PASS |