Match comparison for Kinetic energy (match type 12056)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.253708492800000e+02 | 1.270000000000000e-05 | 2.253708495303846e+02 | 1.644212417041977e-06 | 2.253708508850000e+02 | 2.825000009920586e-06 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 225.37084928000002, precision: 0.0000127| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.253708482700000e+02 | -1.010000005408074e-06 | -7.952755948095069e-02 | PASS |
| foss-2022a_ppc | 2.253708485200000e+02 | -7.600000060392631e-07 | -5.984252016057189e-02 | PASS |
| spack_foss-2022a_serial_min | 2.253708537100000e+02 | 4.429999989952194e-06 | 3.488188968466294e-01 | PASS |
| spack_foss-2022a_serial | 2.253708537100000e+02 | 4.429999989952194e-06 | 3.488188968466294e-01 | PASS |
| foss-2022a_opt | 2.253708484300000e+02 | -8.500000205913238e-07 | -6.692913547963179e-02 | PASS |
| cmake_foss_2022a_min_mpi | 2.253708487000000e+02 | -5.800000053568510e-07 | -4.566929176038197e-02 | PASS |
| intel-2022a | 2.253708500600000e+02 | 7.799999934832158e-07 | 6.141732232151306e-02 | PASS |
| cmake_foss_2022a_full_mpi | 2.253708484700000e+02 | -8.100000172817090e-07 | -6.377952891981961e-02 | PASS |
| spack_foss-2022a_serial_omp | 2.253708483700000e+02 | -9.100000113448914e-07 | -7.165354420038515e-02 | PASS |
| spack_foss-2022a_serial_debug | 2.253708537100000e+02 | 4.429999989952194e-06 | 3.488188968466294e-01 | PASS |
| foss-2022a_omp | 2.253708489100000e+02 | -3.700000092976552e-07 | -2.913385899981537e-02 | PASS |
| cmake_foss_2022a_min_serial | 2.253708482700000e+02 | -1.010000005408074e-06 | -7.952755948095069e-02 | PASS |
| eb_fosscuda-2022a | 2.253708481700000e+02 | -1.110000027892966e-06 | -8.740157699944610e-02 | PASS |
| intel-2022a_omp | 2.253708493700000e+02 | 8.999998613035132e-08 | 7.086613081130025e-03 | PASS |
| intel-2022b_impi | 2.253708497200000e+02 | 4.399999795623444e-07 | 3.464566768207436e-02 | PASS |
| intel-2022a_impi | 2.253708488900000e+02 | -3.900000251633173e-07 | -3.070866339868640e-02 | PASS |
| foss-2022a_mpi_omp | 2.253708484400000e+02 | -8.400000126584928e-07 | -6.614173328019628e-02 | PASS |
| eb_foss-2022a | 2.253708498300000e+02 | 5.499999815583578e-07 | 4.330708516207542e-02 | PASS |
| eb_foss-2022b_libxc6 | 2.253708500400000e+02 | 7.599999776175537e-07 | 5.984251792264202e-02 | PASS |
| eb_foss-2022a_debug | 2.253708498300000e+02 | 5.499999815583578e-07 | 4.330708516207542e-02 | PASS |
| intel-2022a_omp_impi | 2.253708499500000e+02 | 6.699999914872024e-07 | 5.275590484151199e-02 | PASS |
| eb_foss-2022a_mpi | 2.253708491700000e+02 | -1.100000019960135e-07 | -8.661417480001059e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | 2.253708483600000e+02 | -9.200000192777225e-07 | -7.244094639982067e-02 | PASS |
| eb_foss-2022a_mpi_debug | 2.253708487700000e+02 | -5.100000066704524e-07 | -4.015748084019310e-02 | PASS |
| intel-2022b | 2.253708500600000e+02 | 7.799999934832158e-07 | 6.141732232151306e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | 2.253708480600000e+02 | -1.220000029888979e-06 | -9.606299447944716e-02 | PASS |