Match comparison for Dipole [step 1] (match type 17529)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.780638116610150e-16 | 6.600000000000000e-15 | -5.728596666430161e-16 | 2.099216386941693e-15 | -6.506520176157230e-16 | 3.647907659536792e-15 | PASS |
Checks for this match
- Precision seems large and value close to zero. Should value be 0?
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.000000000000000178063811661015, precision: 0.0000000000000066| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.298559677152515e-15 | -4.476623488813530e-15 | -6.782762861838683e-01 | PASS |
| spack_foss-2022a_serial_min | -1.323319322773641e-15 | -1.501383134434656e-15 | -2.274822930961600e-01 | PASS |
| foss-2022a_ppc | 2.997255641921069e-15 | 2.819191830260054e-15 | 4.271502773121295e-01 | PASS |
| spack_foss-2022a_serial_opt | -4.298559677152515e-15 | -4.476623488813530e-15 | -6.782762861838683e-01 | PASS |
| spack_foss-2022a_serial | -1.323319322773641e-15 | -1.501383134434656e-15 | -2.274822930961600e-01 | PASS |
| foss-2022a_opt | -1.908137710338043e-15 | -2.086201521999058e-15 | -3.160911396968269e-01 | PASS |
| intel-2022b | 1.188968967225958e-15 | 1.010905155564943e-15 | 1.531674478128701e-01 | PASS |
| intel-2022a | 1.188968967225958e-15 | 1.010905155564943e-15 | 1.531674478128701e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.880058608794144e-15 | -2.058122420455159e-15 | -3.118367303719938e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.561251128379126e-15 | 1.383187316718111e-15 | 2.095738358663805e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.323319322773641e-15 | -1.501383134434656e-15 | -2.274822930961600e-01 | PASS |
| foss-2022a_omp | -2.401594548229191e-16 | -4.182232664839341e-16 | -6.336716158847487e-02 | PASS |
| intel-2022a_omp | -5.488773498207866e-16 | -7.269411614818016e-16 | -1.101426002245154e-01 | PASS |
| intel-2022b_impi | 1.332267629550188e-15 | 1.154203817889173e-15 | 1.748793663468444e-01 | PASS |
| intel-2022a_impi | 1.332267629550188e-15 | 1.154203817889173e-15 | 1.748793663468444e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.108624468950438e-15 | -3.286688280611453e-15 | -4.979830728199172e-01 | PASS |
| eb_fosscuda-2022a | 2.381331094228507e-15 | 2.203267282567492e-15 | 3.338283761465897e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.298559677152515e-15 | -4.476623488813530e-15 | -6.782762861838683e-01 | PASS |
| foss-2022a_mpi_omp | -3.441691376337985e-15 | -3.619755187999000e-15 | -5.484477557574243e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.332267629550188e-15 | 1.154203817889173e-15 | 1.748793663468444e-01 | PASS |
| eb_foss-2022a | -3.607812900968850e-16 | -5.388451017579000e-16 | -8.164319723604545e-02 | PASS |
| eb_foss-2022b_libxc6 | -5.128417222138859e-16 | -6.909055338749010e-16 | -1.046826566477123e-01 | PASS |
| eb_foss-2022a_debug | -3.607812900968850e-16 | -5.388451017579000e-16 | -8.164319723604545e-02 | PASS |
| intel-2022a_omp_impi | -1.887379141862766e-15 | -2.065442953523781e-15 | -3.129459020490578e-01 | PASS |
| eb_foss-2022a_mpi | 1.110223024625157e-15 | 9.321592129641416e-16 | 1.412362443885063e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 2.109423746787797e-15 | 1.931359935126782e-15 | 2.926302932010276e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.110223024625157e-15 | 9.321592129641416e-16 | 1.412362443885063e-01 | PASS |
| eb_foss-2022a_valgrind | -2.569549736560535e-15 | -2.747613548221550e-15 | -4.163050830638713e-01 | PASS |