Match comparison for Hartree energy (match type 28510)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.641776690000000e+01 | 7.890000000000001e-06 | 4.641777016958334e+01 | 1.702457731339150e-06 | 4.641777063000000e+01 | 3.010000000358559e-06 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 46.417766900000004, precision: 0.00000789| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | 4.641776872000000e+01 | 1.819999994268073e-06 | 2.306717356486785e-01 | PASS |
| cmake_foss_2022a_full_serial | 4.641777091000000e+01 | 4.009999997833802e-06 | 5.082382760245630e-01 | PASS |
| cmake_foss_2022a_min_serial | 4.641777091000000e+01 | 4.009999997833802e-06 | 5.082382760245630e-01 | PASS |
| cmake_foss_2022a_full_mpi | 4.641776762000000e+01 | 7.199999956242209e-07 | 9.125475229711291e-02 | PASS |
| eb_fosscuda-2022a | 4.641776915000000e+01 | 2.249999994319296e-06 | 2.851711019416091e-01 | PASS |
| cmake_foss_2022a_min_mpi | 4.641776762000000e+01 | 7.199999956242209e-07 | 9.125475229711291e-02 | PASS |
| eb_foss-2022a_debug | 4.641776973000000e+01 | 2.829999999676147e-06 | 3.586818757510959e-01 | PASS |
| eb_foss-2022b_libxc6 | 4.641777208000000e+01 | 5.179999995164053e-06 | 6.565272490702221e-01 | PASS |
| eb_intel-2022a | 4.641777364000000e+01 | 6.739999996341339e-06 | 8.542458803981418e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 4.641776940000000e+01 | 2.499999993688107e-06 | 3.168567799351212e-01 | PASS |
| intel-2022b | 4.641777364000000e+01 | 6.739999996341339e-06 | 8.542458803981418e-01 | PASS |
| eb_intel-2022a_omp | 4.641776877000000e+01 | 1.869999998405092e-06 | 2.370088717877176e-01 | PASS |
| eb_foss-2022a_mpi_debug | 4.641777069000000e+01 | 3.789999993841775e-06 | 4.803548788139131e-01 | PASS |
| eb_intel-2022a_impi | 4.641776955000000e+01 | 2.649999998993735e-06 | 3.358681874516774e-01 | PASS |
| spack_foss-2022a_serial | 4.641777091000000e+01 | 4.009999997833802e-06 | 5.082382760245630e-01 | PASS |
| spack_foss-2022a_mpi | 4.641776762000000e+01 | 7.199999956242209e-07 | 9.125475229711291e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 4.641776906000000e+01 | 2.159999993978090e-06 | 2.737642577918998e-01 | PASS |
| spack_foss-2022a_serial_min | 4.641777091000000e+01 | 4.009999997833802e-06 | 5.082382760245630e-01 | PASS |
| intel-2022b_impi | 4.641776955000000e+01 | 2.649999998993735e-06 | 3.358681874516774e-01 | PASS |
| spack_foss-2022a_serial_debug | 4.641777091000000e+01 | 4.009999997833802e-06 | 5.082382760245630e-01 | PASS |
| spack_foss-2022a_serial_omp | 4.641777321000000e+01 | 6.309999996290117e-06 | 7.997465141052111e-01 | PASS |
| spack_foss-2022a_serial_opt | 4.641777091000000e+01 | 4.009999997833802e-06 | 5.082382760245630e-01 | PASS |
| spack_foss-2022a_mpi_omp | 4.641776944000000e+01 | 2.539999996997722e-06 | 3.219264888463525e-01 | PASS |
| eb_intel-2022a_omp_impi | 4.641776912000000e+01 | 2.219999998942512e-06 | 2.813688211587468e-01 | PASS |