Match comparison for Multipoles [step 0] (match type 29347)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
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 | 6.972630785667770e-16 | 3.136937741425329e-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-2023a_serial_min | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| spack_foss-2023a_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_serial_min | 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-2023a_serial | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| spack_foss-2023b_serial | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | 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-2023a_serial_omp | 1.153312592519543e-15 | -3.065534901056052e-15 | -3.065534901056052e-11 | PASS |
| spack_foss-2023a_mpi_opt | 2.192690473634684e-15 | -2.026157019940911e-15 | -2.026157019940911e-11 | PASS |
| spack_foss-2022a_mpi | -2.164934898019055e-15 | -6.383782391594650e-15 | -6.383782391594650e-11 | PASS |
| spack_foss-2023a_mpi | -2.164934898019055e-15 | -6.383782391594650e-15 | -6.383782391594650e-11 | PASS |
| spack_foss-2023a_serial_debug | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -2.496123305182955e-15 | -6.714970798758550e-15 | -6.714970798758550e-11 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.496123305182955e-15 | -6.714970798758550e-15 | -6.714970798758550e-11 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.496123305182955e-15 | -6.714970798758550e-15 | -6.714970798758550e-11 | PASS |
| spack_foss-2023a_mpi_debug | -2.164934898019055e-15 | -6.383782391594650e-15 | -6.383782391594650e-11 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | 3.720304334896076e-15 | -4.985431586795185e-16 | -4.985431586795184e-12 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -1.343685290594617e-15 | -5.562532784170211e-15 | -5.562532784170211e-11 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | 1.333963468408426e-16 | -4.085451146734752e-15 | -4.085451146734752e-11 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 1.153312592519543e-15 | -3.065534901056052e-15 | -3.065534901056052e-11 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.046101379849445e-15 | -6.264948873425040e-15 | -6.264948873425040e-11 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | 4.392458945831661e-15 | 1.736114522560663e-16 | 1.736114522560663e-12 | PASS |
| spack_foss-2023a_mpi_omp | -1.637578961322106e-15 | -5.856426454897701e-15 | -5.856426454897701e-11 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -2.164934898019055e-15 | -6.383782391594650e-15 | -6.383782391594650e-11 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -2.164934898019055e-15 | -6.383782391594650e-15 | -6.383782391594650e-11 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -1.637578961322106e-15 | -5.856426454897701e-15 | -5.856426454897701e-11 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -2.164934898019055e-15 | -6.383782391594650e-15 | -6.383782391594650e-11 | PASS |
| cmake_foss_2022a_full_serial | -2.496123305182955e-15 | -6.714970798758550e-15 | -6.714970798758550e-11 | PASS |
| cmake_foss_2022a_min_serial | -2.496123305182955e-15 | -6.714970798758550e-15 | -6.714970798758550e-11 | PASS |
| cmake_foss_2022a_min_mpi | 5.329070518200751e-15 | 1.110223024625157e-15 | 1.110223024625157e-11 | PASS |
| cmake_foss_2022a_full_mpi | 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_intel-2023a_serial | 3.720304334896076e-15 | -4.985431586795185e-16 | -4.985431586795184e-12 | PASS |
| spack_intel-2022a_serial_omp | 1.333963468408426e-16 | -4.085451146734752e-15 | -4.085451146734752e-11 | PASS |
| spack_intel-2023a_serial_omp | -1.343685290594617e-15 | -5.562532784170211e-15 | -5.562532784170211e-11 | PASS |
| spack_intel-2023a_impi | 3.247402347028583e-15 | -9.714451465470120e-16 | -9.714451465470120e-12 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -4.206099498904925e-15 | -8.424946992480521e-15 | -8.424946992480520e-11 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.192690473634684e-15 | -2.026157019940911e-15 | -2.026157019940911e-11 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 2.192690473634684e-15 | -2.026157019940911e-15 | -2.026157019940911e-11 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 2.192690473634684e-15 | -2.026157019940911e-15 | -2.026157019940911e-11 | PASS |
| spack_foss-2023a_valgrind | 5.984984234377082e-15 | 1.766136740801487e-15 | 1.766136740801487e-11 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.552713678800501e-15 | -7.771561172376096e-15 | -7.771561172376096e-11 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.552713678800501e-15 | -7.771561172376096e-15 | -7.771561172376096e-11 | PASS |
| GCI_foss_valgrind_autotools: [foss2023a-serial] | -9.713970695253419e-16 | -5.190244563100937e-15 | -5.190244563100937e-11 | PASS |
| spack_foss-2022a_cuda_serial | -4.206099498904925e-15 | -8.424946992480521e-15 | -8.424946992480520e-11 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | 3.247402347028583e-15 | -9.714451465470120e-16 | -9.714451465470120e-12 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -1.665334536937735e-15 | -5.884182030513330e-15 | -5.884182030513330e-11 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | 5.329070518200751e-15 | 1.110223024625157e-15 | 1.110223024625157e-11 | PASS |