Match comparison for Exchange energy (match type 28948)
General information
| Reference |
Precision |
Mean |
Standard deviation |
Midpoint |
Half width |
Status |
| -1.938297424000000e+01 |
9.690000000000000e-08 |
-2.028266359952381e+01 |
3.119498440651586e-05 |
-2.028262582000000e+01 |
5.781999999854293e-05 |
FAIL |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Detailed information
Reference: -19.38297424, precision: 0.0000000969
| Run |
Value |
Difference |
Relative difference |
Status |
| spack_foss-2022a_serial_opt |
-2.028265992000000e+01 |
-8.996856800000010e-01 |
-9.284681940144490e+06 |
FAIL |
| spack_foss-2022a_serial_min |
-2.028267113000000e+01 |
-8.996968900000013e-01 |
-9.284797626419002e+06 |
FAIL |
| spack_foss-2022a_serial |
-2.028267113000000e+01 |
-8.996968900000013e-01 |
-9.284797626419002e+06 |
FAIL |
| foss-2022a_opt |
-2.028256800000000e+01 |
-8.995937600000019e-01 |
-9.283733333333353e+06 |
FAIL |
| intel-2022b |
-2.028267720000000e+01 |
-8.997029599999991e-01 |
-9.284860268317843e+06 |
FAIL |
| intel-2022a |
-2.028267720000000e+01 |
-8.997029599999991e-01 |
-9.284860268317843e+06 |
FAIL |
| spack_foss-2022a_serial_omp |
-2.028267539000000e+01 |
-8.997011500000021e-01 |
-9.284841589267308e+06 |
FAIL |
| foss-2022a_omp |
-2.028256929000000e+01 |
-8.995950500000021e-01 |
-9.283746646026853e+06 |
FAIL |
| foss-2022a_ppc |
-2.028267106000000e+01 |
-8.996968199999991e-01 |
-9.284796904024757e+06 |
FAIL |
| spack_foss-2022a_serial_debug |
-2.028267113000000e+01 |
-8.996968900000013e-01 |
-9.284797626419002e+06 |
FAIL |
| intel-2022a_omp |
-2.028268364000000e+01 |
-8.997093999999990e-01 |
-9.284926728586162e+06 |
FAIL |
| intel-2022b_impi |
-2.028267402000000e+01 |
-8.996997800000024e-01 |
-9.284827450980417e+06 |
FAIL |
| intel-2022a_impi |
-2.028267402000000e+01 |
-8.996997800000024e-01 |
-9.284827450980417e+06 |
FAIL |
| foss-2022a_mpi_omp |
-2.028267500000000e+01 |
-8.997007600000018e-01 |
-9.284837564499503e+06 |
FAIL |
| eb_foss-2022a |
-2.028267622000000e+01 |
-8.997019799999997e-01 |
-9.284850154798759e+06 |
FAIL |
| eb_foss-2022b_libxc6 |
-2.028267725000000e+01 |
-8.997030099999996e-01 |
-9.284860784313722e+06 |
FAIL |
| intel-2022a_omp_impi |
-2.028267554000000e+01 |
-8.997013000000003e-01 |
-9.284843137254905e+06 |
FAIL |
| eb_foss-2022a_mpi |
-2.028266657000000e+01 |
-8.996923300000006e-01 |
-9.284750567595465e+06 |
FAIL |
| eb_foss-2022a_debug |
-2.028267622000000e+01 |
-8.997019799999997e-01 |
-9.284850154798759e+06 |
FAIL |
| eb_foss-2022b_libxc6_mpi |
-2.028267909000000e+01 |
-8.997048499999991e-01 |
-9.284879772961807e+06 |
FAIL |
| eb_foss-2022a_mpi_debug |
-2.028266657000000e+01 |
-8.996923300000006e-01 |
-9.284750567595465e+06 |
FAIL |