Match comparison for Hartree energy (match type 28980)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.818233363000000e+01 | 1.250000000000000e-05 | 1.818234306333333e+01 | 6.257365438069706e-06 | 1.818233363000000e+01 | 1.132000000048095e-05 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 18.18233363, precision: 0.0000125| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| eb_fosscuda-2022a | 1.818232231000000e+01 | -1.131999999870459e-05 | -9.055999998963671e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| eb_foss-2022a_debug | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| eb_foss-2022b_libxc6 | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| eb_intel-2022a | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| intel-2022b | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| eb_intel-2022a_omp | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| eb_intel-2022a_impi | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| spack_foss-2022a_serial | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| spack_foss-2022a_mpi | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.818232231000000e+01 | -1.131999999870459e-05 | -9.055999998963671e-01 | PASS |
| spack_foss-2022a_serial_min | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| intel-2022b_impi | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| spack_foss-2022a_serial_debug | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| spack_foss-2022a_mpi_omp | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |
| eb_intel-2022a_omp_impi | 1.818234495000000e+01 | 1.132000000225730e-05 | 9.056000001805842e-01 | PASS |