Match comparison for Hartree energy (match type 26101)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.244572722000000e+01 | 2.880000000000000e-06 | 4.244572654703703e+01 | 8.031780157953163e-07 | 4.244572729500000e+01 | 1.735000001445997e-06 | PASS |
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Detailed information
Reference: 42.44572722, precision: 0.00000288| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 4.244572562000000e+01 | -1.600000004486901e-06 | -5.555555571135073e-01 | PASS |
| cmake_foss_2022a_full_serial | 4.244572645000000e+01 | -7.699999997612395e-07 | -2.673611110282081e-01 | PASS |
| cmake_foss_2022a_min_serial | 4.244572645000000e+01 | -7.699999997612395e-07 | -2.673611110282081e-01 | PASS |
| cmake_foss_2022a_full_mpi | 4.244572667000000e+01 | -5.500000028746399e-07 | -1.909722232203611e-01 | PASS |
| cmake_foss_2022a_min_mpi | 4.244572635000000e+01 | -8.700000009298492e-07 | -3.020833336561977e-01 | PASS |
| eb_foss-2022a | 4.244572708000000e+01 | -1.400000044782246e-07 | -4.861111266605021e-02 | PASS |
| eb_foss-2022b_libxc6 | 4.244572568000000e+01 | -1.539999999522479e-06 | -5.347222220564163e-01 | PASS |
| eb_foss-2022a_debug | 4.244572708000000e+01 | -1.400000044782246e-07 | -4.861111266605021e-02 | PASS |
| eb_foss-2022a_mpi | 4.244572903000000e+01 | 1.810000000546097e-06 | 6.284722224118392e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 4.244572571000000e+01 | -1.510000004145695e-06 | -5.243055569950330e-01 | PASS |
| foss-2022a_opt | 4.244572708000000e+01 | -1.400000044782246e-07 | -4.861111266605021e-02 | PASS |
| eb_foss-2022a_mpi_debug | 4.244572903000000e+01 | 1.810000000546097e-06 | 6.284722224118392e-01 | PASS |
| foss-2022a_omp | 4.244572556000000e+01 | -1.660000002345896e-06 | -5.763888897034362e-01 | PASS |
| intel-2022a | 4.244572655000000e+01 | -6.699999985926297e-07 | -2.326388884002187e-01 | PASS |
| intel-2022b | 4.244572655000000e+01 | -6.699999985926297e-07 | -2.326388884002187e-01 | PASS |
| spack_foss-2022a_serial | 4.244572645000000e+01 | -7.699999997612395e-07 | -2.673611110282081e-01 | PASS |
| intel-2022a_omp | 4.244572640000000e+01 | -8.200000038982580e-07 | -2.847222235757840e-01 | PASS |
| eb_fosscuda-2022a | 4.244572629000000e+01 | -9.299999987888441e-07 | -3.229166662461264e-01 | PASS |
| intel-2022a_impi | 4.244572617000000e+01 | -1.050000001612261e-06 | -3.645833338931463e-01 | PASS |
| spack_foss-2022a_serial_min | 4.244572645000000e+01 | -7.699999997612395e-07 | -2.673611110282081e-01 | PASS |
| spack_foss-2022a_serial_debug | 4.244572645000000e+01 | -7.699999997612395e-07 | -2.673611110282081e-01 | PASS |
| intel-2022b_impi | 4.244572617000000e+01 | -1.050000001612261e-06 | -3.645833338931463e-01 | PASS |
| foss-2022a_mpi_omp | 4.244572632000000e+01 | -9.000000034120603e-07 | -3.125000011847432e-01 | PASS |
| spack_foss-2022a_serial_opt | 4.244572645000000e+01 | -7.699999997612395e-07 | -2.673611110282081e-01 | PASS |
| spack_foss-2022a_serial_omp | 4.244572594000000e+01 | -1.279999999326265e-06 | -4.444444442105085e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 4.244572641000000e+01 | -8.100000030708543e-07 | -2.812500010662689e-01 | PASS |
| intel-2022a_omp_impi | 4.244572638000000e+01 | -8.399999984476381e-07 | -2.916666661276521e-01 | PASS |