Match comparison for B3LYP Fock Total (match type 12229)
General information
| Reference |
Precision |
Mean |
Standard deviation |
Midpoint |
Half width |
Status |
| -5.764007400000000e-01 |
1.810000000000000e-05 |
-5.764143208695652e-01 |
9.264641485379740e-06 |
-5.764007400000000e-01 |
1.644000000000645e-05 |
PASS |
Checks for this match
- GPU builders have different values.
Detailed information
Reference: -0.57640074, precision: 0.0000181
| Run |
Value |
Difference |
Relative difference |
Status |
| foss-2022a_ppc |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| cmake_foss_2022a_full_serial |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| cmake_foss_2022a_min_serial |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| cmake_foss_2022a_full_mpi |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| cmake_foss_2022a_min_mpi |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| eb_foss-2022a |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| eb_fosscuda-2022a |
-5.763843000000000e-01 |
1.644000000000645e-05 |
9.082872928180359e-01 |
PASS |
| eb_foss-2022a_debug |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| eb_foss-2022b_libxc6 |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| eb_foss-2022a_mpi |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| foss-2022a_opt |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| eb_fosscuda-2022a_mpi_omp |
-5.763843000000000e-01 |
1.644000000000645e-05 |
9.082872928180359e-01 |
PASS |
| intel-2022a |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| eb_foss-2022b_libxc6_mpi |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| foss-2022a_omp |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| intel-2022b |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| eb_foss-2022a_mpi_debug |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| intel-2022a_omp |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| intel-2022a_impi |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| spack_foss-2022a_serial |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| intel-2022b_impi |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| foss-2022a_mpi_omp |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |
| spack_foss-2022a_serial_min |
-5.764171800000000e-01 |
-1.644000000000645e-05 |
-9.082872928180359e-01 |
PASS |