Match comparison for Hartree energy (match type 23880)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.803615680000000e+01 | 1.510000000000000e-04 | 1.803619378923077e+01 | 9.914797768856188e-06 | 1.803617993500000e+01 | 1.937500000082082e-05 | 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: 18.0361568, precision: 0.000151| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 1.803619705000000e+01 | 4.024999999785450e-05 | 2.665562913765199e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.803619763000000e+01 | 4.082999999965864e-05 | 2.703973509911168e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.803619763000000e+01 | 4.082999999965864e-05 | 2.703973509911168e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.803619799000000e+01 | 4.119000000102346e-05 | 2.727814569604203e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.803619799000000e+01 | 4.119000000102346e-05 | 2.727814569604203e-01 | PASS |
| eb_foss-2022a | 1.803619757000000e+01 | 4.076999999824693e-05 | 2.699999999883902e-01 | PASS |
| eb_foss-2022a_debug | 1.803619757000000e+01 | 4.076999999824693e-05 | 2.699999999883902e-01 | PASS |
| eb_fosscuda-2022a | 1.803616143000000e+01 | 4.629999999394840e-06 | 3.066225165162146e-02 | PASS |
| eb_foss-2022a_mpi | 1.803619713000000e+01 | 4.033000000092102e-05 | 2.670860927213312e-01 | PASS |
| eb_foss-2022b_libxc6 | 1.803619705000000e+01 | 4.024999999785450e-05 | 2.665562913765199e-01 | PASS |
| foss-2022a_opt | 1.803619931000000e+01 | 4.251000000010663e-05 | 2.815231788086531e-01 | PASS |
| foss-2022a_omp | 1.803619798000000e+01 | 4.118000000019606e-05 | 2.727152317893778e-01 | PASS |
| intel-2022a | 1.803619849000000e+01 | 4.168999999976108e-05 | 2.760927152302058e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.803619798000000e+01 | 4.118000000019606e-05 | 2.727152317893778e-01 | PASS |
| intel-2022b | 1.803619849000000e+01 | 4.168999999976108e-05 | 2.760927152302058e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.803619713000000e+01 | 4.033000000092102e-05 | 2.670860927213312e-01 | PASS |
| spack_foss-2022a_serial | 1.803618856000000e+01 | 3.175999999882606e-05 | 2.103311258200401e-01 | PASS |
| intel-2022a_omp | 1.803619765000000e+01 | 4.084999999776073e-05 | 2.705298013096737e-01 | PASS |
| spack_foss-2022a_serial_min | 1.803618856000000e+01 | 3.175999999882606e-05 | 2.103311258200401e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.803616056000000e+01 | 3.759999998464991e-06 | 2.490066224149001e-02 | PASS |
| spack_foss-2022a_serial_debug | 1.803618856000000e+01 | 3.175999999882606e-05 | 2.103311258200401e-01 | PASS |
| intel-2022a_impi | 1.803619664000000e+01 | 3.983999999945809e-05 | 2.638410595990602e-01 | PASS |
| intel-2022b_impi | 1.803619664000000e+01 | 3.983999999945809e-05 | 2.638410595990602e-01 | PASS |
| foss-2022a_mpi_omp | 1.803619745000000e+01 | 4.064999999897623e-05 | 2.692052980064651e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.803619775000000e+01 | 4.094999999892934e-05 | 2.711920529730420e-01 | PASS |
| intel-2022a_omp_impi | 1.803619773000000e+01 | 4.093000000082725e-05 | 2.710596026544851e-01 | PASS |