Match comparison for Hartree-Fock external energy (match type 15656)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.529334900000000e-01 | 1.000000000000000e-04 | 4.529337700000000e-01 | 5.551115123125783e-17 | 4.529337700000000e-01 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 0.45293349, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| cmake_foss_2022a_min_serial | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| cmake_foss_2022a_full_serial | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| foss-2022a_opt | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| intel-2022a | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| cmake_foss_2022a_min_mpi | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| foss-2022a_omp | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| eb_foss-2022a | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| cmake_foss_2022a_full_mpi | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| intel-2022a_omp | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| intel-2022a_impi | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| eb_foss-2022a_debug | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| eb_foss-2022b_libxc6 | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| eb_foss-2022a_mpi | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| foss-2022a_mpi_omp | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| eb_foss-2022a_mpi_debug | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| intel-2022b | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| spack_foss-2022a_serial | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| spack_foss-2022a_serial_min | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| spack_foss-2022a_serial_opt | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| spack_foss-2022a_serial_debug | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| spack_foss-2022a_serial_omp | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| intel-2022b_impi | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| intel-2022a_omp_impi | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| eb_foss-2022a_valgrind | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| eb_fosscuda-2022a | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | 4.529337700000000e-01 | 2.800000000191538e-07 | 2.800000000191538e-03 | PASS |