Match comparison for Total energy (match type 21126)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.752689490000000e+01 | 8.140000000000001e+00 | 2.001624257000000e+01 | 2.626358019102584e-05 | 2.001623543500000e+01 | 6.292499999993595e-05 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 17.526894900000002, precision: 8.14| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.001623969000000e+01 | 2.489344789999997e+00 | 3.058163132678129e-01 | PASS |
| spack_foss-2022a_serial_min | 2.001623969000000e+01 | 2.489344789999997e+00 | 3.058163132678129e-01 | PASS |
| foss-2022a_ppc | 2.001623554000000e+01 | 2.489340639999998e+00 | 3.058158034398032e-01 | PASS |
| spack_foss-2022a_serial_opt | 2.001623969000000e+01 | 2.489344789999997e+00 | 3.058163132678129e-01 | PASS |
| spack_foss-2022a_serial | 2.001623969000000e+01 | 2.489344789999997e+00 | 3.058163132678129e-01 | PASS |
| foss-2022a_opt | 2.001623988000000e+01 | 2.489344979999998e+00 | 3.058163366093364e-01 | PASS |
| intel-2022b | 2.001624239000000e+01 | 2.489347489999997e+00 | 3.058166449631445e-01 | PASS |
| intel-2022a | 2.001624239000000e+01 | 2.489347489999997e+00 | 3.058166449631445e-01 | PASS |
| spack_foss-2022a_serial_omp | 2.001623734000000e+01 | 2.489342439999998e+00 | 3.058160245700243e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.001625582000000e+01 | 2.489360919999999e+00 | 3.058182948402947e-01 | PASS |
| spack_foss-2022a_serial_debug | 2.001623969000000e+01 | 2.489344789999997e+00 | 3.058163132678129e-01 | PASS |
| foss-2022a_omp | 2.001624096000000e+01 | 2.489346059999999e+00 | 3.058164692874691e-01 | PASS |
| intel-2022a_omp | 2.001623393000000e+01 | 2.489339029999996e+00 | 3.058156056511052e-01 | PASS |
| intel-2022b_impi | 2.001617251000000e+01 | 2.489277609999998e+00 | 3.058080601965600e-01 | PASS |
| intel-2022a_impi | 2.001617251000000e+01 | 2.489277609999998e+00 | 3.058080601965600e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 2.001625170000000e+01 | 2.489356799999999e+00 | 3.058177886977886e-01 | PASS |
| eb_fosscuda-2022a | 2.001625965000000e+01 | 2.489364749999996e+00 | 3.058187653562649e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.001623969000000e+01 | 2.489344789999997e+00 | 3.058163132678129e-01 | PASS |
| foss-2022a_mpi_omp | 2.001622724000000e+01 | 2.489332339999997e+00 | 3.058147837837834e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.001623219000000e+01 | 2.489337289999998e+00 | 3.058153918918917e-01 | PASS |
| eb_foss-2022a | 2.001623988000000e+01 | 2.489344979999998e+00 | 3.058163366093364e-01 | PASS |
| eb_foss-2022b_libxc6 | 2.001626969000000e+01 | 2.489374789999999e+00 | 3.058199987714987e-01 | PASS |
| eb_foss-2022a_debug | 2.001623988000000e+01 | 2.489344979999998e+00 | 3.058163366093364e-01 | PASS |
| intel-2022a_omp_impi | 2.001626698000000e+01 | 2.489372079999999e+00 | 3.058196658476657e-01 | PASS |
| eb_foss-2022a_mpi | 2.001629836000000e+01 | 2.489403459999998e+00 | 3.058235208845206e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 2.001625405000000e+01 | 2.489359149999999e+00 | 3.058180773955772e-01 | PASS |
| eb_foss-2022a_mpi_debug | 2.001629836000000e+01 | 2.489403459999998e+00 | 3.058235208845206e-01 | PASS |