Match comparison for Hartree energy (match type 11799)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.713253548480000e+03 | 1.360000000000000e-07 | 2.713253548410000e+03 | 0.000000000000000e+00 | 2.713253548410000e+03 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 2713.25354848, precision: 0.000000136| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| cmake_foss_2022a_full_serial | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| eb_fosscuda-2022a | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| eb_foss-2022a_debug | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| eb_foss-2022b_libxc6 | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| eb_intel-2022a | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| intel-2022b | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| eb_intel-2022a_omp | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| eb_foss-2022a_mpi_debug | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| eb_intel-2022a_impi | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| spack_foss-2022a_serial | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| spack_foss-2022a_mpi | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| spack_foss-2022a_serial_min | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| intel-2022b_impi | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| spack_foss-2022a_serial_debug | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| spack_foss-2022a_serial_omp | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| spack_foss-2022a_serial_opt | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| spack_foss-2022a_mpi_omp | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |
| eb_intel-2022a_omp_impi | 2.713253548410000e+03 | -7.000016921665519e-08 | -5.147071265930530e-01 | PASS |