Match comparison for Exchange energy (match type 28511)
General information
| Reference |
Precision |
Mean |
Standard deviation |
Midpoint |
Half width |
Status |
| -2.775870298000000e+01 |
1.390000000000000e-06 |
-2.775870335086957e+01 |
1.798287367100529e-07 |
-2.775870331500000e+01 |
2.950000013157705e-07 |
PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Detailed information
Reference: -27.75870298, precision: 0.00000139
| Run |
Value |
Difference |
Relative difference |
Status |
| foss-2022a_ppc |
-2.775870325000000e+01 |
-2.700000010236181e-07 |
-1.942446050529626e-01 |
PASS |
| cmake_foss_2022a_full_serial |
-2.775870352000000e+01 |
-5.400000020472362e-07 |
-3.884892101059253e-01 |
PASS |
| cmake_foss_2022a_min_serial |
-2.775870352000000e+01 |
-5.400000020472362e-07 |
-3.884892101059253e-01 |
PASS |
| cmake_foss_2022a_full_mpi |
-2.775870347000000e+01 |
-4.900000014629313e-07 |
-3.525179866639794e-01 |
PASS |
| cmake_foss_2022a_min_mpi |
-2.775870347000000e+01 |
-4.900000014629313e-07 |
-3.525179866639794e-01 |
PASS |
| eb_foss-2022a |
-2.775870361000000e+01 |
-6.300000023884422e-07 |
-4.532374117902462e-01 |
PASS |
| eb_fosscuda-2022a |
-2.775870329000000e+01 |
-3.100000007805193e-07 |
-2.230215832953376e-01 |
PASS |
| eb_foss-2022a_debug |
-2.775870361000000e+01 |
-6.300000023884422e-07 |
-4.532374117902462e-01 |
PASS |
| eb_foss-2022b_libxc6 |
-2.775870335000000e+01 |
-3.700000021922278e-07 |
-2.661870519368545e-01 |
PASS |
| eb_foss-2022a_mpi |
-2.775870334000000e+01 |
-3.600000013648241e-07 |
-2.589928067372835e-01 |
PASS |
| foss-2022a_opt |
-2.775870361000000e+01 |
-6.300000023884422e-07 |
-4.532374117902462e-01 |
PASS |
| eb_fosscuda-2022a_mpi_omp |
-2.775870316000000e+01 |
-1.800000006824121e-07 |
-1.294964033686418e-01 |
PASS |
| intel-2022a |
-2.775870315000000e+01 |
-1.699999998550084e-07 |
-1.223021581690708e-01 |
PASS |
| eb_foss-2022b_libxc6_mpi |
-2.775870302000000e+01 |
-3.999999975690116e-08 |
-2.877697824237493e-02 |
PASS |
| foss-2022a_omp |
-2.775870318000000e+01 |
-2.000000023372195e-07 |
-1.438848937677838e-01 |
PASS |
| intel-2022b |
-2.775870315000000e+01 |
-1.699999998550084e-07 |
-1.223021581690708e-01 |
PASS |
| eb_foss-2022a_mpi_debug |
-2.775870334000000e+01 |
-3.600000013648241e-07 |
-2.589928067372835e-01 |
PASS |
| intel-2022a_omp |
-2.775870346000000e+01 |
-4.800000006355276e-07 |
-3.453237414644084e-01 |
PASS |
| intel-2022a_impi |
-2.775870311000000e+01 |
-1.300000000981072e-07 |
-9.352517992669582e-02 |
PASS |
| spack_foss-2022a_serial |
-2.775870352000000e+01 |
-5.400000020472362e-07 |
-3.884892101059253e-01 |
PASS |
| intel-2022b_impi |
-2.775870311000000e+01 |
-1.300000000981072e-07 |
-9.352517992669582e-02 |
PASS |
| foss-2022a_mpi_omp |
-2.775870331000000e+01 |
-3.300000024353267e-07 |
-2.374100736944796e-01 |
PASS |
| spack_foss-2022a_serial_min |
-2.775870352000000e+01 |
-5.400000020472362e-07 |
-3.884892101059253e-01 |
PASS |