Match comparison for H3 Electrons (match type 15311)
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Input 30-local_multipoles.02-multipoles.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.373541370224170e-01 | 4.190000000000000e-14 | 8.373541370224170e-01 | 2.045030498834434e-15 | 8.373541370224139e-01 | 5.662137425588298e-15 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 0.837354137022417, precision: 0.0000000000000419| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 8.373541370224082e-01 | -8.770761894538737e-15 | -2.093260595355307e-01 | PASS |
| cmake_foss_2022a_full_serial | 8.373541370224166e-01 | -4.440892098500626e-16 | -1.059878782458383e-02 | PASS |
| spack_foss-2022a_serial | 8.373541370224162e-01 | -7.771561172376096e-16 | -1.854787869302171e-02 | PASS |
| foss-2022a_opt | 8.373541370224172e-01 | 2.220446049250313e-16 | 5.299393912291917e-03 | PASS |
| intel-2022b | 8.373541370224172e-01 | 2.220446049250313e-16 | 5.299393912291917e-03 | PASS |
| intel-2022a | 8.373541370224172e-01 | 2.220446049250313e-16 | 5.299393912291917e-03 | PASS |
| cmake_foss_2022a_min_mpi | 8.373541370224187e-01 | 1.665334536937735e-15 | 3.974545434218938e-02 | PASS |
| spack_foss-2022a_serial_debug | 8.373541370224162e-01 | -7.771561172376096e-16 | -1.854787869302171e-02 | PASS |
| cmake_foss_2022a_full_mpi | 8.373541370224191e-01 | 2.109423746787797e-15 | 5.034424216677321e-02 | PASS |
| foss-2022a_omp | 8.373541370224177e-01 | 6.661338147750939e-16 | 1.589818173687575e-02 | PASS |
| eb_fosscuda-2022a | 8.373541370224177e-01 | 6.661338147750939e-16 | 1.589818173687575e-02 | PASS |
| cmake_foss_2022a_min_serial | 8.373541370224166e-01 | -4.440892098500626e-16 | -1.059878782458383e-02 | PASS |
| intel-2022a_omp | 8.373541370224165e-01 | -5.551115123125783e-16 | -1.324848478072979e-02 | PASS |
| intel-2022b_impi | 8.373541370224187e-01 | 1.665334536937735e-15 | 3.974545434218938e-02 | PASS |
| intel-2022a_impi | 8.373541370224187e-01 | 1.665334536937735e-15 | 3.974545434218938e-02 | PASS |
| foss-2022a_mpi_omp | 8.373541370224182e-01 | 1.221245327087672e-15 | 2.914666651760554e-02 | PASS |
| eb_foss-2022a | 8.373541370224178e-01 | 7.771561172376096e-16 | 1.854787869302171e-02 | PASS |
| spack_foss-2022a_serial_min | 8.373541370224162e-01 | -7.771561172376096e-16 | -1.854787869302171e-02 | PASS |
| eb_foss-2022b_libxc6 | 8.373541370224180e-01 | 9.992007221626409e-16 | 2.384727260531363e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | 8.373541370224190e-01 | 1.998401444325282e-15 | 4.769454521062726e-02 | PASS |
| eb_foss-2022a_debug | 8.373541370224178e-01 | 7.771561172376096e-16 | 1.854787869302171e-02 | PASS |
| spack_foss-2022a_serial_omp | 8.373541370224196e-01 | 2.553512956637860e-15 | 6.094302999135705e-02 | PASS |
| intel-2022a_omp_impi | 8.373541370224169e-01 | -1.110223024625157e-16 | -2.649696956145958e-03 | PASS |
| eb_foss-2022a_mpi | 8.373541370224170e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6_mpi | 8.373541370224171e-01 | 1.110223024625157e-16 | 2.649696956145958e-03 | PASS |
| eb_foss-2022a_mpi_debug | 8.373541370224170e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_valgrind | 8.373541370224147e-01 | -2.331468351712829e-15 | -5.564363607906513e-02 | PASS |