Match comparison for Hartree energy (match type 28913)
General information
| Reference |
Precision |
Mean |
Standard deviation |
Midpoint |
Half width |
Status |
| 1.205197287800000e+02 |
6.030000000000000e-08 |
6.122738755761905e+01 |
1.580206361273475e-07 |
6.122738752000000e+01 |
2.499999993688107e-07 |
FAIL |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Detailed information
Reference: 120.51972878000001, precision: 0.0000000603
| Run |
Value |
Difference |
Relative difference |
Status |
| spack_foss-2022a_serial_min |
6.122738769000000e+01 |
-5.929234109000001e+01 |
-9.832892386401328e+08 |
FAIL |
| foss-2022a_ppc |
6.122738775000000e+01 |
-5.929234103000001e+01 |
-9.832892376451079e+08 |
FAIL |
| spack_foss-2022a_serial_opt |
6.122738751000000e+01 |
-5.929234127000001e+01 |
-9.832892416252074e+08 |
FAIL |
| spack_foss-2022a_serial |
6.122738769000000e+01 |
-5.929234109000001e+01 |
-9.832892386401328e+08 |
FAIL |
| foss-2022a_opt |
6.122738740000000e+01 |
-5.929234138000001e+01 |
-9.832892434494197e+08 |
FAIL |
| intel-2022b |
6.122738744000000e+01 |
-5.929234134000001e+01 |
-9.832892427860698e+08 |
FAIL |
| intel-2022a |
6.122738744000000e+01 |
-5.929234134000001e+01 |
-9.832892427860698e+08 |
FAIL |
| spack_foss-2022a_serial_omp |
6.122738748000000e+01 |
-5.929234130000001e+01 |
-9.832892421227199e+08 |
FAIL |
| spack_foss-2022a_serial_debug |
6.122738769000000e+01 |
-5.929234109000001e+01 |
-9.832892386401328e+08 |
FAIL |
| foss-2022a_omp |
6.122738769000000e+01 |
-5.929234109000001e+01 |
-9.832892386401328e+08 |
FAIL |
| intel-2022a_omp |
6.122738727000000e+01 |
-5.929234151000001e+01 |
-9.832892456053069e+08 |
FAIL |
| intel-2022b_impi |
6.122738737000000e+01 |
-5.929234141000001e+01 |
-9.832892439469321e+08 |
FAIL |
| intel-2022a_impi |
6.122738737000000e+01 |
-5.929234141000001e+01 |
-9.832892439469321e+08 |
FAIL |
| foss-2022a_mpi_omp |
6.122738761000000e+01 |
-5.929234117000001e+01 |
-9.832892399668325e+08 |
FAIL |
| eb_foss-2022a |
6.122738770000000e+01 |
-5.929234108000001e+01 |
-9.832892384742953e+08 |
FAIL |
| eb_foss-2022b_libxc6 |
6.122738751000000e+01 |
-5.929234127000001e+01 |
-9.832892416252074e+08 |
FAIL |
| eb_foss-2022a_debug |
6.122738770000000e+01 |
-5.929234108000001e+01 |
-9.832892384742953e+08 |
FAIL |
| intel-2022a_omp_impi |
6.122738727000000e+01 |
-5.929234151000001e+01 |
-9.832892456053069e+08 |
FAIL |
| eb_foss-2022a_mpi |
6.122738768000000e+01 |
-5.929234110000001e+01 |
-9.832892388059702e+08 |
FAIL |
| eb_foss-2022b_libxc6_mpi |
6.122738777000000e+01 |
-5.929234101000001e+01 |
-9.832892373134329e+08 |
FAIL |
| eb_foss-2022a_mpi_debug |
6.122738768000000e+01 |
-5.929234110000001e+01 |
-9.832892388059702e+08 |
FAIL |