Match comparison for Exchange energy (match type 25819)
General information
| Reference |
Precision |
Mean |
Standard deviation |
Midpoint |
Half width |
Status |
| -1.639931878000000e+01 |
1.050000000000000e-02 |
-1.640880748739130e+01 |
1.435464633690160e-05 |
-1.640879253500000e+01 |
2.906499999966172e-05 |
PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Detailed information
Reference: -16.399318779999998, precision: 0.0105
| Run |
Value |
Difference |
Relative difference |
Status |
| foss-2022a_ppc |
-1.640880062000000e+01 |
-9.481840000002961e-03 |
-9.030323809526629e-01 |
PASS |
| cmake_foss_2022a_full_serial |
-1.640881805000000e+01 |
-9.499270000002724e-03 |
-9.046923809526404e-01 |
PASS |
| cmake_foss_2022a_min_serial |
-1.640881805000000e+01 |
-9.499270000002724e-03 |
-9.046923809526404e-01 |
PASS |
| cmake_foss_2022a_full_mpi |
-1.640881829000000e+01 |
-9.499510000001266e-03 |
-9.047152380953586e-01 |
PASS |
| cmake_foss_2022a_min_mpi |
-1.640881829000000e+01 |
-9.499510000001266e-03 |
-9.047152380953586e-01 |
PASS |
| eb_foss-2022a |
-1.640879945000000e+01 |
-9.480670000002078e-03 |
-9.029209523811502e-01 |
PASS |
| eb_fosscuda-2022a |
-1.640880952000000e+01 |
-9.490740000000386e-03 |
-9.038800000000368e-01 |
PASS |
| eb_foss-2022a_debug |
-1.640879945000000e+01 |
-9.480670000002078e-03 |
-9.029209523811502e-01 |
PASS |
| eb_foss-2022b_libxc6 |
-1.640876347000000e+01 |
-9.444690000002254e-03 |
-8.994942857145003e-01 |
PASS |
| eb_foss-2022a_mpi |
-1.640879945000000e+01 |
-9.480670000002078e-03 |
-9.029209523811502e-01 |
PASS |
| foss-2022a_opt |
-1.640879945000000e+01 |
-9.480670000002078e-03 |
-9.029209523811502e-01 |
PASS |
| eb_fosscuda-2022a_mpi_omp |
-1.640879955000000e+01 |
-9.480770000003247e-03 |
-9.029304761907854e-01 |
PASS |
| intel-2022a |
-1.640882158000000e+01 |
-9.502800000003475e-03 |
-9.050285714289024e-01 |
PASS |
| eb_foss-2022b_libxc6_mpi |
-1.640880812000000e+01 |
-9.489340000001789e-03 |
-9.037466666668370e-01 |
PASS |
| foss-2022a_omp |
-1.640882061000000e+01 |
-9.501830000001377e-03 |
-9.049361904763216e-01 |
PASS |
| intel-2022b |
-1.640882158000000e+01 |
-9.502800000003475e-03 |
-9.050285714289024e-01 |
PASS |
| eb_foss-2022a_mpi_debug |
-1.640879945000000e+01 |
-9.480670000002078e-03 |
-9.029209523811502e-01 |
PASS |
| intel-2022a_omp |
-1.640878506000000e+01 |
-9.466280000001603e-03 |
-9.015504761906289e-01 |
PASS |
| intel-2022a_impi |
-1.640882160000000e+01 |
-9.502820000001577e-03 |
-9.050304761906264e-01 |
PASS |
| spack_foss-2022a_serial |
-1.640881805000000e+01 |
-9.499270000002724e-03 |
-9.046923809526404e-01 |
PASS |
| intel-2022b_impi |
-1.640882160000000e+01 |
-9.502820000001577e-03 |
-9.050304761906264e-01 |
PASS |
| foss-2022a_mpi_omp |
-1.640879287000000e+01 |
-9.474090000001212e-03 |
-9.022942857144011e-01 |
PASS |
| spack_foss-2022a_serial_min |
-1.640881805000000e+01 |
-9.499270000002724e-03 |
-9.046923809526404e-01 |
PASS |